data_5280 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignments of the 1H, 13C, and 15N, resonances of the winged helix domain of the proto-oncoprotein c-Qin (FoxG1B) ; _BMRB_accession_number 5280 _BMRB_flat_file_name bmr5280.str _Entry_type original _Submission_date 2002-02-06 _Accession_date 2002-02-06 _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 Jayawardene Dhammika S. . 2 Liu Junmin . . 3 Zhang Weixing . . 4 Kriwacki Richard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 775 "13C chemical shifts" 548 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-08-23 original author . stop_ _Original_release_date 2002-08-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignments of the 1H, 13C, and 15N, resonances of the winged helix domain of the proto-oncoprotein c-Qin (FoxG1B) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jayawardene Dhammika S. . 2 Liu Junmin . . 3 Zhang Weixing . . 4 Kriwacki Richard . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 23 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 243 _Page_last 244 _Year 2002 _Details . loop_ _Keyword 'NMR assignments' cellular-Qin 'Winged helix domain' FoxG1B stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Chang HW, Li J, Kretzschmar D, Vogt PK. Avian cellular homolog of the qin oncogene. Proc Natl Acad Sci U S A. 1995 Jan 17;92(2):447-51. ; _Citation_title 'Avian cellular homolog of the qin oncogene.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 7831308 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chang 'H W' W. . 2 Li J . . 3 Kretzschmar D . . 4 Vogt 'P K' K. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 92 _Journal_issue 2 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 447 _Page_last 451 _Year 1995 _Details ; We have isolated chicken cDNA clones of the c-qin gene, the cellular counterpart of the v-qin (Chinese for "avian") oncogene of avian sarcoma virus 31. There are several differences between the cellular and the viral qin sequences: (i) two nonconservative amino acid substitutions in the Qin coding region; (ii) a truncation in the carboxyl terminus of the viral protein due to a premature stop codon; (iii) a partial Gag sequence fused to the amino terminus of viral Qin; and (iv) eight cell-coded amino acids which link the cellular Qin coding domain to the viral Gag domain. We have also characterized the expression pattern of c-qin in chicken embryos by in situ hybridization and by Northern blot analysis. c-qin is abundantly expressed in the developing brain, and this expression is restricted to the telencephalon of early embryos. ; save_ ################################## # Molecular system description # ################################## save_system_c-Qin-WHD _Saveframe_category molecular_system _Mol_system_name 'cellular Qin winged helix domain' _Abbreviation_common c-Qin-WHD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label c-Qin-WHD $c-Qin-WHD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'DNA binding' stop_ _Database_query_date . _Details ; The molecule reported in this depositon contains only the winged helix domain (residues 131-253) of cellullar Qin. Also C 200 has been replaced by S. This mutation has been shown to not alter the structure or DNA binding properties of c-Qin-WHD. ; save_ ######################## # Monomeric polymers # ######################## save_c-Qin-WHD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'cellular Qin winged helix domain' _Name_variant C200S _Abbreviation_common c-Qin-WHD _Molecular_mass 14720.8 _Mol_thiol_state 'not present' _Details ; The first 4 residues(GSHM)of the full sequence is a residual tag from cloning and is not a part of c-qin-whd. The fifth residue G in the full sequence corresponds to G 131 of the cellular Qin. ; ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; GSHMGKEGEKKNGKYEKPPF SYNALIMMAIRQSPEKRLTL NGIYEFIMKNFPYYRENKQG WQNSIRHNLSLNKSFVKVPR HYDDPGKGNYWMLDPSSDDV FIGGTTGKLRRRSTTSRAKL AFKRGAR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 SER 3 -2 HIS 4 -1 MET 5 131 GLY 6 132 LYS 7 133 GLU 8 134 GLY 9 135 GLU 10 136 LYS 11 137 LYS 12 138 ASN 13 139 GLY 14 140 LYS 15 141 TYR 16 142 GLU 17 143 LYS 18 144 PRO 19 145 PRO 20 146 PHE 21 147 SER 22 148 TYR 23 149 ASN 24 150 ALA 25 151 LEU 26 152 ILE 27 153 MET 28 154 MET 29 155 ALA 30 156 ILE 31 157 ARG 32 158 GLN 33 159 SER 34 160 PRO 35 161 GLU 36 162 LYS 37 163 ARG 38 164 LEU 39 165 THR 40 166 LEU 41 167 ASN 42 168 GLY 43 169 ILE 44 170 TYR 45 171 GLU 46 172 PHE 47 173 ILE 48 174 MET 49 175 LYS 50 176 ASN 51 177 PHE 52 178 PRO 53 179 TYR 54 180 TYR 55 181 ARG 56 182 GLU 57 183 ASN 58 184 LYS 59 185 GLN 60 186 GLY 61 187 TRP 62 188 GLN 63 189 ASN 64 190 SER 65 191 ILE 66 192 ARG 67 193 HIS 68 194 ASN 69 195 LEU 70 196 SER 71 197 LEU 72 198 ASN 73 199 LYS 74 200 SER 75 201 PHE 76 202 VAL 77 203 LYS 78 204 VAL 79 205 PRO 80 206 ARG 81 207 HIS 82 208 TYR 83 209 ASP 84 210 ASP 85 211 PRO 86 212 GLY 87 213 LYS 88 214 GLY 89 215 ASN 90 216 TYR 91 217 TRP 92 218 MET 93 219 LEU 94 220 ASP 95 221 PRO 96 222 SER 97 223 SER 98 224 ASP 99 225 ASP 100 226 VAL 101 227 PHE 102 228 ILE 103 229 GLY 104 230 GLY 105 231 THR 106 232 THR 107 233 GLY 108 234 LYS 109 235 LEU 110 236 ARG 111 237 ARG 112 238 ARG 113 239 SER 114 240 THR 115 241 THR 116 242 SER 117 243 ARG 118 244 ALA 119 245 LYS 120 246 LEU 121 247 ALA 122 248 PHE 123 249 LYS 124 250 ARG 125 251 GLY 126 252 ALA 127 253 ARG 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 BAE21092 "unnamed protein product [Mus musculus]" 96.85 481 98.37 99.19 5.47e-82 EMBL CAA52239 "transcription factor [Homo sapiens]" 96.06 477 98.36 98.36 1.07e-80 EMBL CAF93027 "unnamed protein product, partial [Tetraodon nigroviridis]" 78.74 310 98.00 99.00 2.13e-65 EMBL CAI91293 "sloppy paired [Cupiennius salei]" 59.06 75 97.33 98.67 3.19e-47 GB AAA40812 "BF-1 [Rattus norvegicus]" 96.85 480 98.37 99.19 5.11e-82 GB AAA66954 "putative [Gallus gallus]" 96.85 451 99.19 99.19 2.56e-83 GB AAB08466 "chicken brain factor-1 [Gallus gallus]" 96.85 451 99.19 99.19 2.56e-83 GB AAB42158 "brain factor-1 [Mus musculus]" 96.85 481 98.37 99.19 5.47e-82 GB AAC18393 "transcription factor BF-1 [Danio rerio]" 96.85 420 98.37 99.19 3.15e-83 PIR A47446 "HNF-3/fork head family transcription factor Qin - avian sarcoma virus 31" 96.85 387 98.37 98.37 1.33e-82 PIR A54743 "transcription factor HFK1 - human" 96.06 476 98.36 98.36 2.44e-81 PRF 2115219B "brain factor 1" 96.06 477 98.36 98.36 1.07e-80 REF NP_001079165 "forkhead box protein G1 [Xenopus laevis]" 94.49 436 98.33 99.17 6.70e-80 REF NP_001116933 "forkhead box G1 [Xenopus (Silurana) tropicalis]" 97.64 432 98.39 98.39 6.21e-81 REF NP_001153584 "forkhead box protein G1 [Mus musculus]" 96.85 481 98.37 99.19 5.47e-82 REF NP_005240 "forkhead box protein G1 [Homo sapiens]" 96.85 489 99.19 99.19 1.61e-82 REF NP_032267 "forkhead box protein G1 [Mus musculus]" 96.85 481 98.37 99.19 5.47e-82 SP P55316 "RecName: Full=Forkhead box protein G1; AltName: Full=Brain factor 1; Short=BF-1; Short=BF1; AltName: Full=Brain factor 2; Short" 96.85 489 99.19 99.19 1.61e-82 SP P56260 "RecName: Full=Transforming protein Qin; AltName: Full=Oncogene Qin [Avian sarcoma virus 31]" 96.85 387 98.37 98.37 1.33e-82 SP Q00939 "RecName: Full=Forkhead box protein G1; Short=FoxG1; AltName: Full=Brain factor 1; Short=BF-1; Short=BF1; AltName: Full=Forkhead" 96.85 480 98.37 99.19 5.11e-82 SP Q1A1A1 "RecName: Full=Forkhead box protein G1; Short=FoxG1 [Ceratotherium simum]" 96.85 486 99.19 99.19 1.31e-82 SP Q1A1A2 "RecName: Full=Forkhead box protein G1; Short=FoxG1 [Equus burchellii]" 96.85 488 99.19 99.19 1.73e-82 TPG DAA17496 "TPA: forkhead box protein G1-like [Bos taurus]" 96.85 491 99.19 99.19 2.10e-82 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ $c-Qin-WHD chicken 9031 Eukaryota Metazoa Gallus gallus brain stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $c-Qin-WHD 'recombinant technology' 'E. coli' Escherichia coli 'BL21 (DE3)' plasmid pET_28a ; The host-vector system used is extremely efficient. Using Bioflow 3000 Fermenter 150 mg protein per 10 g of 13C D-Glucose was obtained with in 8 hour period of growth. Glucose was obtained. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_13C_labelled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $c-Qin-WHD 2.0 mM '[U-98% 13C; U-98% 15N]' stop_ save_ save_15N_labelled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $c-Qin-WHD 2 mM '[U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name Felix _Version 98 loop_ _Task 'NMR data processing' analysis stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_(H)C(CO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _Sample_label . save_ save_H(CCO)NH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _Sample_label . save_ save_HBHA(CBCACO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _Sample_label . save_ save_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_LRCC_11 _Saveframe_category NMR_applied_experiment _Experiment_name LRCC _Sample_label . save_ save_LRCH_12 _Saveframe_category NMR_applied_experiment _Experiment_name LRCH _Sample_label . save_ save_15N-edited_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY' _Sample_label . save_ save_13C-edited_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _Sample_label . save_ save_aromatic-_HB(CBCG)CDHD_15 _Saveframe_category NMR_applied_experiment _Experiment_name 'aromatic- HB(CBCG)CDHD' _Sample_label . save_ save_(HB)CB(CG)CDHD_16 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CG)CDHD _Sample_label . save_ save_HB(CBCECD)CEHE_17 _Saveframe_category NMR_applied_experiment _Experiment_name HB(CBCECD)CEHE _Sample_label . save_ save_(HB)CB(CGCD)CEHE_edited_3D_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '(HB)CB(CGCD)CEHE edited 3D NOESY' _Sample_label . save_ save_(HB)CB(CGCD)CEHE_edited_4D_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '(HB)CB(CGCD)CEHE edited 4D NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name LRCC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name LRCH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name 'aromatic- HB(CBCG)CDHD' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_17 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CG)CDHD _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_18 _Saveframe_category NMR_applied_experiment _Experiment_name HB(CBCECD)CEHE _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_19 _Saveframe_category NMR_applied_experiment _Experiment_name '(HB)CB(CGCD)CEHE edited 3D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_20 _Saveframe_category NMR_applied_experiment _Experiment_name '(HB)CB(CGCD)CEHE edited 4D NOESY' _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 pH 5.5 0.2 n/a temperature 313 0.1 K 'ionic strength' 0.100 0.005 M 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 TSP H 1 'methyl protons' ppm 0.00 external direct cylindrical external parallel 1.0 TSP C 13 'methyl protons' ppm 0.00 external indirect cylindrical external parallel 0.25144954 TSP N 15 'methyl protons' ppm 0.00 external indirect cylindrical external parallel 0.10132900 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $15N_13C_labelled $15N_labelled stop_ _Sample_conditions_label $Cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name c-Qin-WHD _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 . 4 MET H H 8.52 0.01 1 2 . 4 MET HA H 4.63 0.01 1 3 . 4 MET HB2 H 2.24 0.01 1 4 . 4 MET HB3 H 2.24 0.01 1 5 . 4 MET HG2 H 2.71 0.01 2 6 . 4 MET HG3 H 2.61 0.01 2 7 . 4 MET C C 177.44 0.15 1 8 . 4 MET CA C 56.66 0.15 1 9 . 4 MET CB C 34.09 0.15 1 10 . 4 MET CG C 33.13 0.15 1 11 . 4 MET N N 122.66 0.2 1 12 . 5 GLY H H 8.53 0.01 1 13 . 5 GLY HA2 H 4.11 0.01 2 14 . 5 GLY CA C 46.33 0.15 1 15 . 5 GLY N N 111.31 0.2 1 16 . 6 LYS H H 7.15 0.01 1 17 . 6 LYS HA H 4.45 0.01 1 18 . 6 LYS HB2 H 1.96 0.01 1 19 . 6 LYS HB3 H 1.86 0.01 1 20 . 6 LYS HG2 H 1.53 0.01 1 21 . 6 LYS HG3 H 1.53 0.01 1 22 . 6 LYS HD2 H 1.70 0.01 1 23 . 6 LYS HD3 H 1.70 0.01 1 24 . 6 LYS HE2 H 3.08 0.01 1 25 . 6 LYS HE3 H 3.08 0.01 1 26 . 6 LYS C C 177.91 0.15 1 27 . 6 LYS CA C 57.40 0.15 1 28 . 6 LYS CB C 33.96 0.15 1 29 . 6 LYS CG C 25.77 0.15 1 30 . 6 LYS CD C 30.13 0.15 1 31 . 6 LYS CE C 43.19 0.15 1 32 . 6 LYS N N 121.92 0.2 1 33 . 7 GLU H H 8.68 0.01 1 34 . 7 GLU HA H 4.37 0.01 1 35 . 7 GLU HB2 H 2.10 0.01 1 36 . 7 GLU HB3 H 2.19 0.01 1 37 . 7 GLU HG2 H 2.42 0.01 1 38 . 7 GLU HG3 H 2.42 0.01 1 39 . 7 GLU C C 178.12 0.15 1 40 . 7 GLU CA C 58.33 0.15 1 41 . 7 GLU CB C 30.86 0.15 1 42 . 7 GLU CG C 37.09 0.15 1 43 . 7 GLU N N 122.79 0.2 1 44 . 8 GLY H H 8.45 0.01 1 45 . 8 GLY HA2 H 4.06 0.01 1 46 . 8 GLY HA3 H 4.06 0.01 1 47 . 8 GLY C C 175.08 0.15 1 48 . 8 GLY CA C 46.37 0.15 1 49 . 8 GLY N N 110.41 0.2 1 50 . 9 GLU H H 8.19 0.01 1 51 . 9 GLU HA H 4.39 0.01 1 52 . 9 GLU HB2 H 2.05 0.01 1 53 . 9 GLU HB3 H 2.14 0.01 1 54 . 9 GLU HG2 H 2.38 0.01 1 55 . 9 GLU HG3 H 2.38 0.01 1 56 . 9 GLU C C 177.30 0.15 1 57 . 9 GLU CA C 57.42 0.15 1 58 . 9 GLU CB C 31.35 0.15 1 59 . 9 GLU CG C 37.02 0.15 1 60 . 9 GLU N N 121.40 0.2 1 61 . 10 LYS H H 8.39 0.01 1 62 . 10 LYS HA H 4.44 0.01 1 63 . 10 LYS HB2 H 1.84 0.01 1 64 . 10 LYS HB3 H 1.91 0.01 1 65 . 10 LYS HG2 H 1.49 0.01 2 66 . 10 LYS HG3 H 1.53 0.01 2 67 . 10 LYS HD2 H 1.76 0.01 1 68 . 10 LYS HD3 H 1.76 0.01 1 69 . 10 LYS HE2 H 3.08 0.01 1 70 . 10 LYS HE3 H 3.08 0.01 1 71 . 10 LYS C C 177.18 0.15 1 72 . 10 LYS CA C 57.21 0.15 1 73 . 10 LYS CB C 34.08 0.15 1 74 . 10 LYS CG C 25.88 0.15 1 75 . 10 LYS CD C 30.17 0.15 1 76 . 10 LYS CE C 43.28 0.15 1 77 . 10 LYS N N 123.72 0.2 1 78 . 11 LYS H H 8.44 0.01 1 79 . 11 LYS HA H 4.45 0.01 1 80 . 11 LYS HB2 H 1.95 0.01 1 81 . 11 LYS HB3 H 1.83 0.01 1 82 . 11 LYS HG2 H 1.53 0.01 1 83 . 11 LYS HG3 H 1.53 0.01 1 84 . 11 LYS HD2 H 1.78 0.01 1 85 . 11 LYS HD3 H 1.78 0.01 1 86 . 11 LYS HE2 H 3.09 0.01 1 87 . 11 LYS HE3 H 3.09 0.01 1 88 . 11 LYS C C 176.34 0.15 1 89 . 11 LYS CA C 57.17 0.15 1 90 . 11 LYS CB C 34.21 0.15 1 91 . 11 LYS CG C 25.86 0.15 1 92 . 11 LYS CD C 30.08 0.15 1 93 . 11 LYS CE C 43.35 0.15 1 94 . 11 LYS N N 124.32 0.2 1 95 . 12 ASN H H 8.11 0.01 1 96 . 12 ASN HA H 4.72 0.01 1 97 . 12 ASN HB2 H 2.72 0.01 2 98 . 12 ASN HB3 H 2.84 0.01 2 99 . 12 ASN C C 177.35 0.15 1 100 . 12 ASN CA C 55.93 0.15 1 101 . 12 ASN CB C 42.09 0.15 1 102 . 12 ASN N N 126.24 0.2 1 103 . 13 GLY H H 8.36 0.01 1 104 . 13 GLY HA2 H 3.92 0.01 2 105 . 13 GLY HA3 H 3.98 0.01 2 106 . 13 GLY C C 174.80 0.15 1 107 . 13 GLY CA C 46.68 0.15 1 108 . 13 GLY N N 114.90 0.2 1 109 . 14 LYS H H 8.14 0.01 1 110 . 14 LYS HA H 4.31 0.01 1 111 . 14 LYS HB2 H 1.67 0.01 2 112 . 14 LYS HB3 H 1.71 0.01 2 113 . 14 LYS HG2 H 1.25 0.01 2 114 . 14 LYS HG3 H 1.30 0.01 2 115 . 14 LYS HD2 H 1.68 0.01 1 116 . 14 LYS HD3 H 1.68 0.01 1 117 . 14 LYS HE2 H 3.03 0.01 1 118 . 14 LYS HE3 H 3.03 0.01 1 119 . 14 LYS C C 177.14 0.15 1 120 . 14 LYS CA C 57.51 0.15 1 121 . 14 LYS CB C 34.17 0.15 1 122 . 14 LYS CG C 25.63 0.15 1 123 . 14 LYS CD C 30.17 0.15 1 124 . 14 LYS CE C 43.20 0.15 1 125 . 14 LYS N N 121.35 0.2 1 126 . 15 TYR H H 8.26 0.01 1 127 . 15 TYR HA H 4.78 0.01 1 128 . 15 TYR HB2 H 2.88 0.01 2 129 . 15 TYR HB3 H 3.34 0.01 2 130 . 15 TYR HD1 H 7.25 0.01 1 131 . 15 TYR HD2 H 7.25 0.01 1 132 . 15 TYR HE1 H 6.92 0.01 1 133 . 15 TYR HE2 H 6.92 0.01 1 134 . 15 TYR C C 177.14 0.15 1 135 . 15 TYR CA C 58.46 0.15 1 136 . 15 TYR CB C 40.45 0.15 1 137 . 15 TYR CD1 C 133.13 0.15 1 138 . 15 TYR CD2 C 133.13 0.15 1 139 . 15 TYR CE1 C 117.93 0.15 1 140 . 15 TYR CE2 C 117.93 0.15 1 141 . 15 TYR N N 120.22 0.2 1 142 . 16 GLU H H 8.40 0.01 1 143 . 16 GLU HA H 4.43 0.01 1 144 . 16 GLU HB2 H 2.01 0.01 2 145 . 16 GLU HB3 H 1.92 0.01 2 146 . 16 GLU HG2 H 2.33 0.01 2 147 . 16 GLU HG3 H 2.28 0.01 2 148 . 16 GLU C C 176.65 0.15 1 149 . 16 GLU CA C 56.17 0.15 1 150 . 16 GLU CB C 32.32 0.15 1 151 . 16 GLU CG C 36.94 0.15 1 152 . 16 GLU N N 122.34 0.2 1 153 . 17 LYS H H 8.38 0.01 1 154 . 17 LYS HA H 2.96 0.01 1 155 . 17 LYS HB2 H 1.38 0.01 2 156 . 17 LYS HB3 H 0.91 0.01 2 157 . 17 LYS HG2 H 0.71 0.01 2 158 . 17 LYS HG3 H 1.21 0.01 2 159 . 17 LYS HD2 H 1.60 0.01 1 160 . 17 LYS HD3 H 1.60 0.01 1 161 . 17 LYS HE2 H 3.01 0.01 1 162 . 17 LYS HE3 H 3.01 0.01 1 163 . 17 LYS CA C 55.14 0.15 1 164 . 17 LYS CB C 33.68 0.15 1 165 . 17 LYS CG C 24.88 0.15 1 166 . 17 LYS CD C 30.60 0.15 1 167 . 17 LYS CE C 41.65 0.15 1 168 . 17 LYS N N 127.56 0.2 1 169 . 18 PRO HA H 4.41 0.01 1 170 . 18 PRO HB2 H 2.01 0.01 2 171 . 18 PRO HB3 H 2.09 0.01 2 172 . 18 PRO HG2 H 1.91 0.01 2 173 . 18 PRO HG3 H 1.94 0.01 2 174 . 18 PRO HD2 H 3.61 0.01 2 175 . 18 PRO HD3 H 3.65 0.01 2 176 . 18 PRO CA C 64.34 0.15 1 177 . 18 PRO CB C 31.79 0.15 1 178 . 18 PRO CG C 27.07 0.15 1 179 . 18 PRO CD C 50.20 0.15 1 180 . 18 PRO N N 130.53 0.2 1 181 . 19 PRO HA H 4.44 0.01 1 182 . 19 PRO HB2 H 1.93 0.01 1 183 . 19 PRO HB3 H 1.93 0.01 1 184 . 19 PRO HG2 H 1.90 0.01 2 185 . 19 PRO HG3 H 1.03 0.01 2 186 . 19 PRO HD2 H 3.79 0.01 2 187 . 19 PRO HD3 H 3.24 0.01 2 188 . 19 PRO C C 176.11 0.15 1 189 . 19 PRO CA C 64.34 0.15 1 190 . 19 PRO CB C 30.98 0.15 1 191 . 19 PRO CG C 27.62 0.15 1 192 . 19 PRO CD C 51.20 0.15 1 193 . 19 PRO N N 130.53 0.2 1 194 . 20 PHE H H 6.60 0.01 1 195 . 20 PHE HA H 4.78 0.01 1 196 . 20 PHE HB2 H 2.31 0.01 1 197 . 20 PHE HB3 H 3.22 0.01 1 198 . 20 PHE HD1 H 6.99 0.01 1 199 . 20 PHE HD2 H 6.99 0.01 1 200 . 20 PHE HE1 H 7.57 0.01 1 201 . 20 PHE HE2 H 7.57 0.01 1 202 . 20 PHE CA C 57.54 0.15 1 203 . 20 PHE CB C 42.96 0.15 1 204 . 20 PHE CD1 C 131.03 0.15 1 205 . 20 PHE CD2 C 131.03 0.15 1 206 . 20 PHE CE1 C 131.87 0.15 1 207 . 20 PHE CE2 C 131.87 0.15 1 208 . 20 PHE N N 117.43 0.2 1 209 . 21 SER H H 7.39 0.01 1 210 . 21 SER HA H 4.41 0.01 1 211 . 21 SER HB2 H 4.20 0.01 2 212 . 21 SER C C 175.50 0.15 1 213 . 21 SER CA C 58.00 0.15 1 214 . 21 SER CB C 65.69 0.15 1 215 . 21 SER N N 120.86 0.2 1 216 . 22 TYR H H 8.44 0.01 1 217 . 22 TYR HA H 4.47 0.01 1 218 . 22 TYR HB2 H 3.00 0.01 2 219 . 22 TYR HB3 H 3.03 0.01 2 220 . 22 TYR HD1 H 7.24 0.01 1 221 . 22 TYR HD2 H 7.24 0.01 1 222 . 22 TYR HE1 H 7.15 0.01 1 223 . 22 TYR HE2 H 7.15 0.01 1 224 . 22 TYR C C 177.91 0.15 1 225 . 22 TYR CA C 62.30 0.15 1 226 . 22 TYR CB C 37.86 0.15 1 227 . 22 TYR CD1 C 131.84 0.15 1 228 . 22 TYR CD2 C 131.84 0.15 1 229 . 22 TYR CE1 C 118.90 0.15 1 230 . 22 TYR CE2 C 118.90 0.15 1 231 . 22 TYR N N 119.57 0.2 1 232 . 23 ASN H H 8.58 0.01 1 233 . 23 ASN HA H 4.65 0.01 1 234 . 23 ASN HB2 H 2.94 0.01 2 235 . 23 ASN HB3 H 2.85 0.01 2 236 . 23 ASN HD21 H 7.58 0.01 2 237 . 23 ASN HD22 H 6.89 0.01 2 238 . 23 ASN C C 178.04 0.15 1 239 . 23 ASN CA C 57.80 0.15 1 240 . 23 ASN CB C 39.47 0.15 1 241 . 23 ASN N N 116.79 0.2 1 242 . 23 ASN ND2 N 111.39 0.2 1 243 . 24 ALA H H 8.04 0.01 1 244 . 24 ALA HA H 4.21 0.01 1 245 . 24 ALA HB H 1.73 0.01 1 246 . 24 ALA C C 181.38 0.15 1 247 . 24 ALA CA C 56.34 0.15 1 248 . 24 ALA CB C 19.27 0.15 1 249 . 24 ALA N N 123.15 0.2 1 250 . 25 LEU H H 8.27 0.01 1 251 . 25 LEU HA H 4.06 0.01 1 252 . 25 LEU HB2 H 1.31 0.01 2 253 . 25 LEU HB3 H 2.22 0.01 2 254 . 25 LEU HG H 1.78 0.01 1 255 . 25 LEU HD1 H 0.514 0.01 1 256 . 25 LEU HD2 H 0.668 0.01 1 257 . 25 LEU C C 179.30 0.15 1 258 . 25 LEU CA C 59.25 0.15 1 259 . 25 LEU CB C 43.23 0.15 1 260 . 25 LEU CG C 27.32 0.15 1 261 . 25 LEU CD1 C 24.95 0.15 1 262 . 25 LEU CD2 C 26.58 0.15 1 263 . 25 LEU N N 119.58 0.2 1 264 . 26 ILE H H 8.07 0.01 1 265 . 26 ILE HA H 3.34 0.01 1 266 . 26 ILE HB H 1.80 0.01 1 267 . 26 ILE HG12 H 0.72 0.01 2 268 . 26 ILE HG13 H 0.56 0.01 2 269 . 26 ILE HG2 H 0.15 0.01 1 270 . 26 ILE HD1 H 2.09 0.01 1 271 . 26 ILE C C 178.60 0.15 1 272 . 26 ILE CA C 66.99 0.15 1 273 . 26 ILE CB C 38.98 0.15 1 274 . 26 ILE CG1 C 30.31 0.15 1 275 . 26 ILE CG2 C 20.24 0.15 1 276 . 26 ILE CD1 C 15.23 0.15 1 277 . 26 ILE N N 118.68 0.2 1 278 . 27 MET H H 8.18 0.01 1 279 . 27 MET HA H 4.02 0.01 1 280 . 27 MET HB2 H 2.34 0.01 2 281 . 27 MET HB3 H 2.20 0.01 2 282 . 27 MET HG2 H 3.03 0.01 2 283 . 27 MET HG3 H 2.66 0.01 2 284 . 27 MET C C 178.67 0.15 1 285 . 27 MET CA C 61.08 0.15 1 286 . 27 MET CB C 34.01 0.15 1 287 . 27 MET CG C 34.05 0.15 1 288 . 27 MET N N 117.24 0.2 1 289 . 28 MET H H 8.40 0.01 1 290 . 28 MET HA H 3.85 0.01 1 291 . 28 MET HB2 H 2.31 0.01 1 292 . 28 MET HB3 H 2.12 0.01 1 293 . 28 MET HG2 H 2.72 0.01 1 294 . 28 MET HG3 H 2.56 0.01 1 295 . 28 MET C C 178.67 0.15 1 296 . 28 MET CA C 60.23 0.15 1 297 . 28 MET CB C 34.79 0.15 1 298 . 28 MET CG C 33.08 0.15 1 299 . 28 MET N N 118.72 0.2 1 300 . 29 ALA H H 7.64 0.01 1 301 . 29 ALA HA H 2.10 0.01 1 302 . 29 ALA HB H 1.23 0.01 1 303 . 29 ALA CA C 55.22 0.15 1 304 . 29 ALA CB C 20.25 0.15 1 305 . 29 ALA N N 121.56 0.2 1 306 . 30 ILE H H 8.03 0.01 1 307 . 30 ILE HA H 3.34 0.01 1 308 . 30 ILE HB H 1.72 0.01 1 309 . 30 ILE HG12 H 1.87 0.01 2 310 . 30 ILE HG13 H 0.83 0.01 2 311 . 30 ILE HG2 H 0.90 0.01 1 312 . 30 ILE HD1 H 0.69 0.01 1 313 . 30 ILE C C 180.47 0.15 1 314 . 30 ILE CA C 66.95 0.15 1 315 . 30 ILE CB C 39.64 0.15 1 316 . 30 ILE CG1 C 30.82 0.15 1 317 . 30 ILE CG2 C 19.27 0.15 1 318 . 30 ILE CD1 C 13.00 0.15 1 319 . 30 ILE N N 116.94 0.2 1 320 . 31 ARG H H 8.66 0.01 1 321 . 31 ARG HA H 4.01 0.01 1 322 . 31 ARG HB2 H 1.99 0.01 2 323 . 31 ARG HB3 H 1.91 0.01 2 324 . 31 ARG HG2 H 1.90 0.01 2 325 . 31 ARG HG3 H 1.73 0.01 2 326 . 31 ARG HD2 H 3.17 0.01 1 327 . 31 ARG HD3 H 3.17 0.01 1 328 . 31 ARG C C 178.51 0.15 1 329 . 31 ARG CA C 60.77 0.15 1 330 . 31 ARG CB C 31.14 0.15 1 331 . 31 ARG CG C 29.45 0.15 1 332 . 31 ARG CD C 44.74 0.15 1 333 . 31 ARG N N 119.66 0.2 1 334 . 32 GLN H H 7.48 0.01 1 335 . 32 GLN HA H 4.44 0.01 1 336 . 32 GLN HB2 H 2.11 0.01 1 337 . 32 GLN HB3 H 2.36 0.01 1 338 . 32 GLN HG2 H 2.47 0.01 2 339 . 32 GLN HG3 H 2.71 0.01 2 340 . 32 GLN HE21 H 7.65 0.01 2 341 . 32 GLN HE22 H 7.12 0.01 2 342 . 32 GLN C C 176.90 0.15 1 343 . 32 GLN CA C 57.01 0.15 1 344 . 32 GLN CB C 29.45 0.15 1 345 . 32 GLN CG C 35.51 0.15 1 346 . 32 GLN N N 114.57 0.2 1 347 . 32 GLN NE2 N 112.76 0.2 1 348 . 33 SER H H 7.55 0.01 1 349 . 33 SER HA H 4.82 0.01 1 350 . 33 SER HB2 H 4.16 0.01 2 351 . 33 SER HB3 H 4.30 0.01 2 352 . 33 SER CA C 58.25 0.15 1 353 . 33 SER CB C 63.77 0.15 1 354 . 33 SER N N 119.15 0.2 1 355 . 34 PRO HA H 4.49 0.01 1 356 . 34 PRO HB2 H 2.13 0.01 2 357 . 34 PRO HB3 H 2.57 0.01 2 358 . 34 PRO HG2 H 2.29 0.01 2 359 . 34 PRO HG3 H 2.33 0.01 2 360 . 34 PRO HD2 H 4.12 0.01 2 361 . 34 PRO HD3 H 4.13 0.01 2 362 . 34 PRO C C 179.33 0.15 1 363 . 34 PRO CA C 66.58 0.15 1 364 . 34 PRO CB C 33.14 0.15 1 365 . 34 PRO CG C 28.97 0.15 1 366 . 34 PRO CD C 51.84 0.15 1 367 . 34 PRO N N 130.53 0.2 1 368 . 35 GLU H H 8.48 0.15 1 369 . 35 GLU HA H 4.53 0.01 1 370 . 35 GLU HB2 H 2.00 0.01 2 371 . 35 GLU HB3 H 2.29 0.01 2 372 . 35 GLU HG2 H 2.34 0.01 2 373 . 35 GLU HG3 H 2.23 0.01 2 374 . 35 GLU C C 176.55 0.15 1 375 . 35 GLU CA C 56.83 0.15 1 376 . 35 GLU CB C 30.69 0.15 1 377 . 35 GLU CG C 37.62 0.15 1 378 . 35 GLU N N 114.45 0.2 1 379 . 36 LYS H H 8.09 0.01 1 380 . 36 LYS HA H 4.11 0.01 1 381 . 36 LYS HB2 H 2.22 0.01 1 382 . 36 LYS HB3 H 1.90 0.01 1 383 . 36 LYS HG2 H 1.56 0.01 2 384 . 36 LYS HG3 H 1.43 0.01 2 385 . 36 LYS HD2 H 1.74 0.01 2 386 . 36 LYS HE2 H 3.22 0.01 2 387 . 36 LYS HE3 H 3.13 0.01 2 388 . 36 LYS C C 175.67 0.15 1 389 . 36 LYS CA C 57.20 0.15 1 390 . 36 LYS CB C 29.58 0.15 1 391 . 36 LYS CG C 25.92 0.15 1 392 . 36 LYS CD C 29.70 0.15 1 393 . 36 LYS CE C 43.88 0.15 1 394 . 36 LYS N N 117.05 0.2 1 395 . 37 ARG H H 7.51 0.01 1 396 . 37 ARG HA H 5.36 0.01 1 397 . 37 ARG HB2 H 1.42 0.01 1 398 . 37 ARG HB3 H 2.00 0.01 1 399 . 37 ARG HG2 H 1.48 0.01 2 400 . 37 ARG HG3 H 1.14 0.01 2 401 . 37 ARG HD2 H 2.42 0.01 2 402 . 37 ARG HD3 H 2.71 0.01 2 403 . 37 ARG C C 175.15 0.15 1 404 . 37 ARG CA C 55.75 0.15 1 405 . 37 ARG CB C 33.10 0.15 1 406 . 37 ARG CG C 26.10 0.15 1 407 . 37 ARG CD C 44.69 0.15 1 408 . 37 ARG N N 112.78 0.2 1 409 . 38 LEU H H 8.83 0.01 1 410 . 38 LEU HA H 5.21 0.01 1 411 . 38 LEU HB2 H 1.55 0.01 1 412 . 38 LEU HB3 H 1.99 0.01 1 413 . 38 LEU HG H 0.71 0.01 1 414 . 38 LEU HD1 H 1.77 0.01 1 415 . 38 LEU HD2 H 1.20 0.01 1 416 . 38 LEU C C 178.00 0.15 1 417 . 38 LEU CA C 55.13 0.15 1 418 . 38 LEU CB C 51.29 0.15 1 419 . 38 LEU CG C 27.99 0.15 1 420 . 38 LEU CD1 C 28.28 0.15 1 421 . 38 LEU CD2 C 25.79 0.15 1 422 . 38 LEU N N 121.92 0.2 1 423 . 39 THR H H 8.41 0.01 1 424 . 39 THR HA H 5.01 0.01 1 425 . 39 THR HB H 4.77 0.01 1 426 . 39 THR HG1 H 4.77 0.01 2 427 . 39 THR HG2 H 0.95 0.01 1 428 . 39 THR C C 176.34 0.15 1 429 . 39 THR CA C 61.44 0.15 1 430 . 39 THR CB C 72.88 0.15 1 431 . 39 THR CG2 C 22.36 0.15 1 432 . 39 THR N N 112.46 0.2 1 433 . 40 LEU H H 9.31 0.01 1 434 . 40 LEU HA H 3.76 0.01 1 435 . 40 LEU HB2 H 1.70 0.01 1 436 . 40 LEU HB3 H 1.58 0.01 1 437 . 40 LEU HG H 1.04 0.01 1 438 . 40 LEU HD1 H 0.577 0.01 1 439 . 40 LEU HD2 H 0.896 0.01 1 440 . 40 LEU C C 178.65 0.15 1 441 . 40 LEU CA C 59.61 0.15 1 442 . 40 LEU CB C 42.72 0.15 1 443 . 40 LEU CG C 27.50 0.15 1 444 . 40 LEU CD1 C 24.75 0.15 1 445 . 40 LEU CD2 C 26.43 0.15 1 446 . 40 LEU N N 122.66 0.2 1 447 . 41 ASN H H 8.23 0.01 1 448 . 41 ASN HA H 4.39 0.01 1 449 . 41 ASN HB2 H 2.79 0.01 2 450 . 41 ASN HB3 H 2.85 0.01 2 451 . 41 ASN HD21 H 7.72 0.01 1 452 . 41 ASN HD22 H 7.10 0.01 1 453 . 41 ASN C C 178.74 0.15 1 454 . 41 ASN CA C 57.67 0.15 1 455 . 41 ASN CB C 39.14 0.15 1 456 . 41 ASN N N 114.67 0.2 1 457 . 41 ASN ND2 N 113.76 0.2 1 458 . 42 GLY H H 8.19 0.01 1 459 . 42 GLY HA2 H 4.02 0.01 2 460 . 42 GLY HA3 H 4.06 0.01 2 461 . 42 GLY C C 178.12 0.15 1 462 . 42 GLY CA C 48.40 0.15 1 463 . 42 GLY N N 109.70 0.2 1 464 . 43 ILE H H 8.28 0.01 1 465 . 43 ILE HA H 3.68 0.01 1 466 . 43 ILE HB H 2.07 0.01 1 467 . 43 ILE HG12 H 1.97 0.01 2 468 . 43 ILE HG13 H 0.66 0.01 2 469 . 43 ILE HG2 H 0.90 0.01 1 470 . 43 ILE HD1 H 0.57 0.01 1 471 . 43 ILE C C 178.77 0.15 1 472 . 43 ILE CA C 67.43 0.15 1 473 . 43 ILE CB C 38.93 0.15 1 474 . 43 ILE CG1 C 31.09 0.15 2 475 . 43 ILE CG2 C 19.14 0.15 2 476 . 43 ILE CD1 C 14.91 0.15 1 477 . 43 ILE N N 127.02 0.2 1 478 . 44 TYR H H 8.39 0.01 1 479 . 44 TYR HA H 4.86 0.01 1 480 . 44 TYR HB2 H 3.38 0.01 1 481 . 44 TYR HB3 H 3.62 0.01 1 482 . 44 TYR HD1 H 7.11 0.01 1 483 . 44 TYR HD2 H 7.11 0.01 1 484 . 44 TYR HE1 H 6.67 0.01 1 485 . 44 TYR HE2 H 6.67 0.01 1 486 . 44 TYR C C 179.75 0.15 1 487 . 44 TYR CA C 59.50 0.15 1 488 . 44 TYR CB C 37.70 0.15 1 489 . 44 TYR CD1 C 130.91 0.15 1 490 . 44 TYR CD2 C 130.91 0.15 1 491 . 44 TYR CE1 C 117.85 0.01 1 492 . 44 TYR CE2 C 117.85 0.01 1 493 . 44 TYR N N 118.86 0.2 1 494 . 45 GLU H H 8.92 0.01 1 495 . 45 GLU HA H 4.19 0.01 1 496 . 45 GLU HB2 H 2.28 0.01 2 497 . 45 GLU HB3 H 2.34 0.01 2 498 . 45 GLU HG2 H 2.47 0.01 2 499 . 45 GLU HG3 H 2.61 0.01 2 500 . 45 GLU C C 179.63 0.15 1 501 . 45 GLU CA C 60.89 0.15 1 502 . 45 GLU CB C 30.90 0.15 1 503 . 45 GLU CG C 37.34 0.15 1 504 . 45 GLU N N 119.00 0.2 1 505 . 46 PHE H H 8.14 0.01 1 506 . 46 PHE HA H 4.22 0.01 1 507 . 46 PHE HB2 H 3.41 0.01 1 508 . 46 PHE HB3 H 3.41 0.01 1 509 . 46 PHE HD1 H 7.32 0.01 1 510 . 46 PHE HD2 H 7.32 0.01 1 511 . 46 PHE HE1 H 7.35 0.01 1 512 . 46 PHE HE2 H 7.35 0.01 1 513 . 46 PHE C C 179.35 0.15 1 514 . 46 PHE CA C 63.19 0.15 1 515 . 46 PHE CB C 40.12 0.15 1 516 . 46 PHE CD1 C 132.43 0.15 1 517 . 46 PHE CD2 C 132.43 0.15 1 518 . 46 PHE CE1 C 131.03 0.15 1 519 . 46 PHE CE2 C 131.03 0.15 1 520 . 46 PHE N N 120.72 0.2 1 521 . 47 ILE H H 8.41 0.01 1 522 . 47 ILE HA H 3.73 0.01 1 523 . 47 ILE HB H 2.19 0.01 1 524 . 47 ILE HG12 H 1.08 0.01 2 525 . 47 ILE HG13 H 2.47 0.01 2 526 . 47 ILE HG2 H 0.31 0.01 1 527 . 47 ILE HD1 H 0.97 0.01 1 528 . 47 ILE C C 177.91 0.15 1 529 . 47 ILE CA C 67.44 0.15 1 530 . 47 ILE CB C 39.40 0.15 1 531 . 47 ILE CG1 C 31.56 0.15 2 532 . 47 ILE CG2 C 18.73 0.15 2 533 . 47 ILE CD1 C 16.69 0.15 1 534 . 47 ILE N N 121.58 0.2 1 535 . 48 MET H H 8.58 0.01 1 536 . 48 MET HA H 3.95 0.01 1 537 . 48 MET HB2 H 2.38 0.01 2 538 . 48 MET HB3 H 2.11 0.01 2 539 . 48 MET HG2 H 3.30 0.01 2 540 . 48 MET HG3 H 2.52 0.01 2 541 . 48 MET C C 178.32 0.15 1 542 . 48 MET CA C 61.08 0.15 1 543 . 48 MET CB C 34.65 0.15 1 544 . 48 MET CG C 34.15 0.15 1 545 . 48 MET N N 116.86 0.2 1 546 . 49 LYS H H 8.28 0.01 1 547 . 49 LYS HA H 4.04 0.01 1 548 . 49 LYS HB2 H 1.74 0.01 1 549 . 49 LYS HB3 H 1.96 0.01 1 550 . 49 LYS HG2 H 1.35 0.01 2 551 . 49 LYS HG3 H 1.51 0.01 2 552 . 49 LYS HD2 H 1.72 0.01 1 553 . 49 LYS HD3 H 1.72 0.01 1 554 . 49 LYS HE2 H 3.03 0.01 1 555 . 49 LYS HE3 H 3.03 0.01 1 556 . 49 LYS C C 178.86 0.15 1 557 . 49 LYS CA C 59.89 0.15 1 558 . 49 LYS CB C 33.84 0.15 1 559 . 49 LYS CG C 26.28 0.15 1 560 . 49 LYS CD C 30.40 0.15 1 561 . 49 LYS CE C 43.23 0.15 1 562 . 49 LYS N N 117.55 0.2 1 563 . 50 ASN H H 7.29 0.01 1 564 . 50 ASN HA H 4.21 0.01 1 565 . 50 ASN HB2 H 1.75 0.01 1 566 . 50 ASN HB3 H 1.45 0.01 1 567 . 50 ASN HD21 H 6.77 0.01 2 568 . 50 ASN HD22 H 6.28 0.01 2 569 . 50 ASN C C 175.08 0.15 1 570 . 50 ASN CA C 56.27 0.15 1 571 . 50 ASN CB C 41.35 0.15 1 572 . 50 ASN N N 114.19 0.2 1 573 . 50 ASN ND2 N 117.16 0.2 1 574 . 51 PHE H H 8.13 0.01 1 575 . 51 PHE HA H 5.23 0.01 1 576 . 51 PHE HB2 H 3.66 0.01 1 577 . 51 PHE HB3 H 3.13 0.01 1 578 . 51 PHE HD1 H 7.60 0.01 1 579 . 51 PHE HD2 H 7.60 0.01 1 580 . 51 PHE HE1 H 7.41 0.01 1 581 . 51 PHE HE2 H 7.41 0.01 1 582 . 51 PHE CA C 55.99 0.15 1 583 . 51 PHE CB C 40.80 0.15 1 584 . 51 PHE CG C 138.35 0.15 1 585 . 51 PHE CD1 C 132.78 0.15 1 586 . 51 PHE CD2 C 132.78 0.15 1 587 . 51 PHE CE1 C 130.50 0.15 3 588 . 51 PHE CE2 C 129.03 0.15 3 589 . 51 PHE N N 117.63 0.2 1 590 . 52 PRO HA H 4.17 0.01 1 591 . 52 PRO HB2 H 2.06 0.01 1 592 . 52 PRO HB3 H 1.22 0.01 1 593 . 52 PRO HG2 H 1.83 0.01 2 594 . 52 PRO HD2 H 3.82 0.01 1 595 . 52 PRO HD3 H 3.49 0.01 1 596 . 52 PRO C C 178.02 0.15 1 597 . 52 PRO CA C 66.11 0.15 1 598 . 52 PRO CB C 32.44 0.15 1 599 . 52 PRO CG C 28.20 0.15 1 600 . 52 PRO CD C 51.47 0.15 1 601 . 52 PRO N N 130.53 0.2 1 602 . 53 TYR H H 8.61 0.01 1 603 . 53 TYR HA H 3.97 0.01 1 604 . 53 TYR HB2 H 2.06 0.01 2 605 . 53 TYR HB3 H 3.13 0.01 2 606 . 53 TYR HD1 H 6.02 0.01 1 607 . 53 TYR HD2 H 6.02 0.01 1 608 . 53 TYR HE1 H 6.62 0.01 1 609 . 53 TYR HE2 H 6.62 0.01 1 610 . 53 TYR C C 178.04 0.15 1 611 . 53 TYR CA C 62.97 0.15 1 612 . 53 TYR CB C 41.42 0.15 1 613 . 53 TYR CD1 C 133.13 0.15 1 614 . 53 TYR CD2 C 133.13 0.15 1 615 . 53 TYR CE1 C 117.96 0.15 1 616 . 53 TYR CE2 C 117.96 0.15 1 617 . 53 TYR N N 119.71 0.2 1 618 . 54 TYR H H 8.19 0.01 1 619 . 54 TYR HA H 4.06 0.01 1 620 . 54 TYR HB2 H 2.38 0.01 1 621 . 54 TYR HB3 H 2.31 0.01 1 622 . 54 TYR HD1 H 6.33 0.01 1 623 . 54 TYR HD2 H 6.33 0.01 1 624 . 54 TYR HE1 H 6.68 0.01 1 625 . 54 TYR HE2 H 6.68 0.01 1 626 . 54 TYR C C 176.65 0.15 1 627 . 54 TYR CA C 61.86 0.15 1 628 . 54 TYR CB C 38.70 0.15 1 629 . 54 TYR CD1 C 132.89 0.15 1 630 . 54 TYR CD2 C 132.89 0.15 1 631 . 54 TYR CE1 C 116.68 0.15 1 632 . 54 TYR CE2 C 116.68 0.15 1 633 . 54 TYR N N 115.32 0.2 1 634 . 55 ARG H H 7.80 0.01 1 635 . 55 ARG HA H 4.31 0.01 1 636 . 55 ARG HB2 H 2.20 0.01 1 637 . 55 ARG HB3 H 2.10 0.01 1 638 . 55 ARG HG2 H 1.91 0.01 2 639 . 55 ARG HG3 H 1.82 0.01 2 640 . 55 ARG HD2 H 3.42 0.01 2 641 . 55 ARG HD3 H 3.28 0.01 2 642 . 55 ARG C C 177.70 0.15 1 643 . 55 ARG CA C 59.65 0.15 1 644 . 55 ARG CB C 31.40 0.15 1 645 . 55 ARG CG C 29.07 0.15 1 646 . 55 ARG CD C 44.93 0.15 1 647 . 55 ARG N N 119.20 0.2 1 648 . 56 GLU H H 7.45 0.01 1 649 . 56 GLU HA H 4.53 0.01 1 650 . 56 GLU HB2 H 2.19 0.01 1 651 . 56 GLU HB3 H 1.95 0.01 1 652 . 56 GLU HG2 H 2.33 0.01 2 653 . 56 GLU HG3 H 2.39 0.01 2 654 . 56 GLU C C 177.07 0.15 1 655 . 56 GLU CA C 56.78 0.15 1 656 . 56 GLU CB C 31.81 0.15 1 657 . 56 GLU CG C 36.87 0.15 1 658 . 56 GLU N N 115.90 0.2 1 659 . 57 ASN H H 8.19 0.01 1 660 . 57 ASN HA H 4.75 0.01 1 661 . 57 ASN HB2 H 2.60 0.01 2 662 . 57 ASN HB3 H 2.90 0.01 2 663 . 57 ASN C C 177.07 0.15 1 664 . 57 ASN CA C 54.80 0.15 1 665 . 57 ASN CB C 39.44 0.15 1 666 . 57 ASN N N 119.79 0.2 1 667 . 58 LYS H H 8.50 0.01 1 668 . 58 LYS HA H 4.46 0.01 1 669 . 58 LYS HB2 H 1.74 0.01 1 670 . 58 LYS HB3 H 1.92 0.01 1 671 . 58 LYS HG2 H 1.56 0.01 2 672 . 58 LYS HG3 H 1.65 0.01 2 673 . 58 LYS HD2 H 1.47 0.01 1 674 . 58 LYS HD3 H 1.47 0.01 1 675 . 58 LYS HE2 H 2.89 0.01 1 676 . 58 LYS HE3 H 2.89 0.01 1 677 . 58 LYS CA C 58.20 0.15 1 678 . 58 LYS CB C 33.60 0.15 1 679 . 58 LYS CG C 26.14 0.15 1 680 . 58 LYS CD C 30.29 0.15 1 681 . 58 LYS CE C 43.33 0.15 1 682 . 58 LYS N N 122.25 0.2 1 683 . 59 GLN H H 8.48 0.01 1 684 . 59 GLN HA H 4.26 0.01 1 685 . 59 GLN HB2 H 2.24 0.01 2 686 . 59 GLN HB3 H 2.28 0.01 2 687 . 59 GLN HG2 H 2.47 0.01 2 688 . 59 GLN HG3 H 2.51 0.01 2 689 . 59 GLN HE21 H 6.96 0.01 2 690 . 59 GLN HE22 H 7.59 0.01 2 691 . 59 GLN C C 178.77 0.15 1 692 . 59 GLN CA C 58.29 0.15 1 693 . 59 GLN CB C 29.70 0.15 1 694 . 59 GLN CG C 35.26 0.15 1 695 . 59 GLN CD C 179.14 0.15 1 696 . 59 GLN N N 118.17 0.2 1 697 . 59 GLN NE2 N 112.98 0.2 1 698 . 60 GLY H H 8.50 0.01 1 699 . 60 GLY HA2 H 3.97 0.01 2 700 . 60 GLY HA3 H 4.25 0.01 2 701 . 60 GLY C C 177.77 0.15 1 702 . 60 GLY CA C 48.26 0.15 1 703 . 60 GLY N N 109.47 0.2 1 704 . 61 TRP H H 7.93 0.01 1 705 . 61 TRP HA H 4.52 0.01 1 706 . 61 TRP HB2 H 3.64 0.01 2 707 . 61 TRP HB3 H 3.69 0.01 2 708 . 61 TRP HD1 H 7.81 0.01 1 709 . 61 TRP C C 179.00 0.15 1 710 . 61 TRP CA C 59.96 0.15 1 711 . 61 TRP CB C 29.30 0.15 1 712 . 61 TRP CD1 C 129.18 0.15 1 713 . 61 TRP N N 122.80 0.2 1 714 . 62 GLN H H 7.81 0.01 1 715 . 62 GLN HA H 3.21 0.01 1 716 . 62 GLN HB2 H 1.27 0.01 1 717 . 62 GLN HB3 H 1.35 0.01 1 718 . 62 GLN HG2 H 0.13 0.01 2 719 . 62 GLN HG3 H 0.05 0.01 2 720 . 62 GLN HE21 H 6.67 0.01 2 721 . 62 GLN HE22 H 5.45 0.01 2 722 . 62 GLN C C 180.82 0.15 1 723 . 62 GLN CA C 61.37 0.15 1 724 . 62 GLN CB C 26.68 0.15 1 725 . 62 GLN CG C 33.15 0.15 1 726 . 62 GLN CD C 179.14 0.15 1 727 . 62 GLN N N 123.17 0.2 1 728 . 62 GLN NE2 N 108.35 0.2 1 729 . 63 ASN H H 7.97 0.01 1 730 . 63 ASN HA H 4.49 0.01 1 731 . 63 ASN HB2 H 2.99 0.01 1 732 . 63 ASN HB3 H 2.89 0.01 1 733 . 63 ASN HD21 H 7.75 0.01 2 734 . 63 ASN HD22 H 7.06 0.01 2 735 . 63 ASN C C 178.79 0.15 1 736 . 63 ASN CA C 57.07 0.15 1 737 . 63 ASN CB C 38.92 0.15 1 738 . 63 ASN N N 120.70 0.2 1 739 . 63 ASN ND2 N 114.23 0.2 1 740 . 64 SER H H 7.87 0.01 1 741 . 64 SER HA H 4.34 0.01 1 742 . 64 SER HB2 H 3.59 0.01 1 743 . 64 SER HB3 H 3.69 0.01 1 744 . 64 SER HG H 6.19 0.01 1 745 . 64 SER C C 178.04 0.15 1 746 . 64 SER CA C 63.68 0.15 1 747 . 64 SER CB C 63.70 0.15 1 748 . 64 SER N N 118.73 0.2 1 749 . 65 ILE H H 8.05 0.01 1 750 . 65 ILE HA H 3.66 0.01 1 751 . 65 ILE HB H 2.48 0.01 1 752 . 65 ILE HG12 H 1.80 0.01 2 753 . 65 ILE HG13 H 1.73 0.01 2 754 . 65 ILE HG2 H 0.83 0.01 1 755 . 65 ILE HD1 H 0.95 0.01 1 756 . 65 ILE C C 177.37 0.15 1 757 . 65 ILE CA C 64.64 0.15 1 758 . 65 ILE CB C 37.11 0.15 1 759 . 65 ILE CG1 C 29.40 0.15 1 760 . 65 ILE CG2 C 17.50 0.15 1 761 . 65 ILE CD1 C 12.53 0.15 1 762 . 65 ILE N N 123.15 0.2 1 763 . 66 ARG H H 7.67 0.01 1 764 . 66 ARG HA H 3.78 0.01 1 765 . 66 ARG HB2 H 2.06 0.01 1 766 . 66 ARG HB3 H 2.06 0.01 1 767 . 66 ARG HG2 H 1.83 0.01 2 768 . 66 ARG HG3 H 1.67 0.01 2 769 . 66 ARG HD2 H 2.84 0.01 1 770 . 66 ARG HD3 H 2.84 0.15 1 771 . 66 ARG C C 179.56 0.15 1 772 . 66 ARG CA C 61.24 0.15 1 773 . 66 ARG CB C 31.35 0.15 1 774 . 66 ARG CG C 31.04 0.15 1 775 . 66 ARG CD C 44.65 0.15 1 776 . 66 ARG N N 118.83 0.2 1 777 . 67 HIS H H 8.27 0.01 1 778 . 67 HIS HA H 4.48 0.01 1 779 . 67 HIS HB2 H 3.41 0.01 2 780 . 67 HIS HB3 H 3.44 0.01 2 781 . 67 HIS HD2 H 7.39 0.01 1 782 . 67 HIS C C 177.95 0.15 1 783 . 67 HIS CA C 59.88 0.15 1 784 . 67 HIS CB C 29.95 0.15 1 785 . 67 HIS CD2 C 119.80 0.15 1 786 . 68 ASN H H 8.32 0.01 1 787 . 68 ASN HA H 4.39 0.01 1 788 . 68 ASN HB2 H 3.00 0.01 1 789 . 68 ASN HB3 H 2.84 0.01 1 790 . 68 ASN HD21 H 7.44 0.01 2 791 . 68 ASN HD22 H 7.15 0.01 2 792 . 68 ASN C C 178.56 0.15 1 793 . 68 ASN CA C 58.25 0.15 1 794 . 68 ASN CB C 39.49 0.15 1 795 . 68 ASN N N 119.71 0.2 1 796 . 68 ASN ND2 N 111.14 0.2 1 797 . 69 LEU H H 8.00 0.01 1 798 . 69 LEU HA H 3.86 0.01 1 799 . 69 LEU HB2 H 1.19 0.01 1 800 . 69 LEU HB3 H 0.31 0.01 1 801 . 69 LEU HG H -0.29 0.01 1 802 . 69 LEU HD1 H -0.29 0.01 2 803 . 69 LEU HD2 H -0.39 0.01 2 804 . 69 LEU C C 177.93 0.15 1 805 . 69 LEU CA C 58.75 0.15 1 806 . 69 LEU CB C 42.34 0.15 1 807 . 69 LEU CG C 26.22 0.15 1 808 . 69 LEU CD1 C 24.67 0.15 2 809 . 69 LEU CD2 C 24.27 0.15 1 810 . 69 LEU N N 120.27 0.2 1 811 . 70 SER H H 7.18 0.01 1 812 . 70 SER HA H 4.50 0.01 1 813 . 70 SER HB2 H 4.11 0.01 2 814 . 70 SER HB3 H 4.16 0.01 2 815 . 70 SER HG H 5.19 0.01 1 816 . 70 SER C C 176.16 0.15 1 817 . 70 SER CA C 61.56 0.15 1 818 . 70 SER CB C 65.16 0.15 1 819 . 70 SER N N 109.51 0.2 1 820 . 71 LEU H H 7.49 0.01 1 821 . 71 LEU HA H 4.55 0.01 1 822 . 71 LEU HB2 H 1.72 0.01 2 823 . 71 LEU HB3 H 1.67 0.01 2 824 . 71 LEU HG H 0.92 0.01 1 825 . 71 LEU HD1 H 0.85 0.01 2 826 . 71 LEU HD2 H 0.92 0.01 2 827 . 71 LEU C C 177.86 0.15 1 828 . 71 LEU CA C 56.40 0.15 1 829 . 71 LEU CB C 45.00 0.15 1 830 . 71 LEU CG C 27.75 0.15 1 831 . 71 LEU CD1 C 25.84 0.15 2 832 . 71 LEU CD2 C 24.44 0.15 2 833 . 71 LEU N N 120.54 0.2 1 834 . 72 ASN H H 7.88 0.01 1 835 . 72 ASN HA H 4.89 0.01 1 836 . 72 ASN HB2 H 2.97 0.01 2 837 . 72 ASN HB3 H 3.24 0.01 2 838 . 72 ASN HD21 H 7.03 0.01 2 839 . 72 ASN HD22 H 7.40 0.01 2 840 . 72 ASN C C 176.53 0.15 1 841 . 72 ASN CA C 54.42 0.15 1 842 . 72 ASN CB C 40.68 0.15 1 843 . 72 ASN N N 119.28 0.2 1 844 . 72 ASN ND2 N 112.94 0.2 1 845 . 73 LYS H H 8.62 0.01 1 846 . 73 LYS HA H 4.45 0.01 1 847 . 73 LYS HB2 H 1.96 0.01 1 848 . 73 LYS HB3 H 2.08 0.01 1 849 . 73 LYS HG2 H 1.65 0.01 2 850 . 73 LYS HG3 H 1.85 0.01 2 851 . 73 LYS HD2 H 1.85 0.01 1 852 . 73 LYS HD3 H 1.85 0.01 1 853 . 73 LYS HE2 H 3.22 0.01 1 854 . 73 LYS HE3 H 3.22 0.01 1 855 . 73 LYS C C 177.93 0.15 1 856 . 73 LYS CA C 58.49 0.15 1 857 . 73 LYS CB C 32.63 0.15 1 858 . 73 LYS CG C 25.70 0.15 1 859 . 73 LYS CD C 29.86 0.15 1 860 . 73 LYS CE C 43.40 0.15 1 861 . 73 LYS N N 124.78 0.2 1 862 . 74 SER H H 8.40 0.01 1 863 . 74 SER HA H 4.27 0.01 1 864 . 74 SER HB2 H 2.99 0.01 1 865 . 74 SER HB3 H 3.50 0.01 1 866 . 74 SER C C 173.75 0.15 1 867 . 74 SER CA C 62.04 0.15 1 868 . 74 SER CB C 64.11 0.15 1 869 . 74 SER N N 115.24 0.2 1 870 . 75 PHE H H 7.80 0.01 1 871 . 75 PHE HA H 5.63 0.01 1 872 . 75 PHE HB2 H 3.35 0.01 1 873 . 75 PHE HB3 H 3.42 0.01 1 874 . 75 PHE HD1 H 7.35 0.01 1 875 . 75 PHE HD2 H 7.35 0.01 1 876 . 75 PHE HE1 H 7.16 0.01 1 877 . 75 PHE HE2 H 7.16 0.01 1 878 . 75 PHE C C 175.71 0.15 1 879 . 75 PHE CA C 56.50 0.15 1 880 . 75 PHE CB C 41.39 0.15 1 881 . 75 PHE CD1 C 131.95 0.15 1 882 . 75 PHE CD2 C 131.95 0.15 1 883 . 75 PHE CE1 C 130.79 0.15 1 884 . 75 PHE CE2 C 130.79 0.15 1 885 . 75 PHE N N 120.10 0.2 1 886 . 76 VAL H H 9.38 0.01 1 887 . 76 VAL HA H 4.65 0.01 1 888 . 76 VAL HB H 2.02 0.01 1 889 . 76 VAL HG1 H 1.02 0.01 1 890 . 76 VAL HG2 H 1.01 0.01 1 891 . 76 VAL C C 175.11 0.15 1 892 . 76 VAL CA C 61.65 0.15 1 893 . 76 VAL CB C 36.13 0.15 1 894 . 76 VAL CG1 C 22.23 0.15 1 895 . 76 VAL CG2 C 21.64 0.15 1 896 . 76 VAL N N 122.30 0.2 1 897 . 77 LYS H H 8.34 0.01 1 898 . 77 LYS HA H 4.06 0.01 1 899 . 77 LYS HB2 H 1.02 0.01 1 900 . 77 LYS HB3 H 1.21 0.01 1 901 . 77 LYS HG2 H 0.50 0.01 2 902 . 77 LYS HG3 H 1.44 0.01 2 903 . 77 LYS HD2 H 1.11 0.01 1 904 . 77 LYS HD3 H 1.11 0.01 1 905 . 77 LYS HE2 H 2.85 0.01 1 906 . 77 LYS HE3 H 2.85 0.01 1 907 . 77 LYS C C 177.39 0.15 1 908 . 77 LYS CA C 56.40 0.15 1 909 . 77 LYS CB C 33.70 0.15 1 910 . 77 LYS CG C 25.40 0.15 1 911 . 77 LYS CD C 30.37 0.15 1 912 . 77 LYS CE C 42.96 0.15 1 913 . 77 LYS N N 127.54 0.2 1 914 . 78 VAL H H 8.64 0.01 1 915 . 78 VAL HA H 4.49 0.01 1 916 . 78 VAL HB H 2.00 0.01 1 917 . 78 VAL HG1 H 1.02 0.01 1 918 . 78 VAL HG2 H 0.91 0.01 1 919 . 78 VAL CA C 60.21 0.15 1 920 . 78 VAL CB C 34.66 0.15 1 921 . 78 VAL CG1 C 21.89 0.15 1 922 . 78 VAL CG2 C 21.89 0.15 1 923 . 78 VAL N N 126.89 0.2 1 924 . 79 PRO HA H 4.52 0.01 1 925 . 79 PRO HB2 H 2.31 0.01 2 926 . 79 PRO HB3 H 1.83 0.01 2 927 . 79 PRO HG2 H 2.05 0.01 2 928 . 79 PRO HG3 H 2.00 0.01 2 929 . 79 PRO HD2 H 3.87 0.01 2 930 . 79 PRO HD3 H 3.72 0.01 2 931 . 79 PRO C C 177.51 0.15 1 932 . 79 PRO CA C 63.80 0.15 1 933 . 79 PRO CB C 33.18 0.15 1 934 . 79 PRO CG C 28.42 0.15 1 935 . 79 PRO CD C 52.12 0.15 1 936 . 79 PRO N N 130.53 0.2 1 937 . 80 ARG H H 8.23 0.01 1 938 . 80 ARG HA H 4.22 0.01 1 939 . 80 ARG HB2 H 1.66 0.01 1 940 . 80 ARG HB3 H 1.78 0.01 1 941 . 80 ARG HG2 H 1.44 0.01 2 942 . 80 ARG HG3 H 1.37 0.01 2 943 . 80 ARG HD2 H 3.00 0.01 2 944 . 80 ARG HD3 H 3.10 0.01 2 945 . 80 ARG C C 177.46 0.15 1 946 . 80 ARG CA C 57.59 0.15 1 947 . 80 ARG CB C 32.13 0.15 1 948 . 80 ARG CG C 28.26 0.15 1 949 . 80 ARG CD C 44.43 0.15 1 950 . 80 ARG N N 121.71 0.2 1 951 . 81 HIS H H 8.95 0.01 1 952 . 81 HIS HA H 4.80 0.01 1 953 . 81 HIS HB2 H 3.16 0.01 1 954 . 81 HIS HB3 H 3.31 0.01 1 955 . 81 HIS HD2 H 7.24 0.01 1 956 . 81 HIS C C 177.16 0.15 1 957 . 81 HIS CA C 55.92 0.15 1 958 . 81 HIS CB C 30.68 0.15 1 959 . 81 HIS CD2 C 119.36 0.15 1 960 . 81 HIS N N 120.92 0.2 1 961 . 82 TYR H H 8.43 0.01 1 962 . 82 TYR HA H 4.39 0.01 1 963 . 82 TYR HB2 H 3.12 0.01 1 964 . 82 TYR HB3 H 3.12 0.01 1 965 . 82 TYR HD1 H 7.20 0.01 1 966 . 82 TYR HD2 H 7.20 0.01 1 967 . 82 TYR HE1 H 6.93 0.01 1 968 . 82 TYR HE2 H 6.93 0.01 1 969 . 82 TYR C C 176.37 0.15 1 970 . 82 TYR CA C 60.59 0.15 1 971 . 82 TYR CB C 39.13 0.15 1 972 . 82 TYR CD1 C 132.78 0.15 1 973 . 82 TYR CD2 C 132.78 0.15 1 974 . 82 TYR CE1 C 117.91 0.15 1 975 . 82 TYR CE2 C 117.91 0.15 1 976 . 82 TYR N N 122.28 0.2 1 977 . 83 ASP H H 8.37 0.01 1 978 . 83 ASP HA H 4.58 0.01 1 979 . 83 ASP HB2 H 2.79 0.01 1 980 . 83 ASP HB3 H 2.58 0.01 1 981 . 83 ASP C C 176.39 0.15 1 982 . 83 ASP CA C 54.52 0.15 1 983 . 83 ASP CB C 40.92 0.15 1 984 . 83 ASP CG C 177.84 0.15 1 985 . 83 ASP N N 118.78 0.2 1 986 . 84 ASP H H 7.71 0.01 1 987 . 84 ASP HA H 5.03 0.01 1 988 . 84 ASP HB2 H 2.93 0.01 2 989 . 84 ASP HB3 H 2.67 0.01 2 990 . 84 ASP CA C 53.02 0.15 1 991 . 84 ASP CB C 42.41 0.15 1 992 . 84 ASP N N 121.04 0.2 1 993 . 85 PRO HA H 4.54 0.01 1 994 . 85 PRO HB2 H 2.14 0.01 1 995 . 85 PRO HB3 H 2.39 0.01 1 996 . 85 PRO HG2 H 2.01 0.01 1 997 . 85 PRO HG3 H 2.06 0.01 1 998 . 85 PRO HD2 H 3.88 0.01 1 999 . 85 PRO HD3 H 3.92 0.01 1 1000 . 85 PRO C C 178.86 0.15 1 1001 . 85 PRO CA C 64.95 0.15 1 1002 . 85 PRO CB C 33.02 0.15 1 1003 . 85 PRO CG C 28.22 0.15 1 1004 . 85 PRO CD C 51.84 0.15 1 1005 . 85 PRO N N 130.53 0.2 1 1006 . 86 GLY H H 8.60 0.01 1 1007 . 86 GLY HA2 H 4.02 0.01 1 1008 . 86 GLY HA3 H 4.06 0.01 1 1009 . 86 GLY C C 174.92 0.15 1 1010 . 86 GLY CA C 46.51 0.15 1 1011 . 86 GLY N N 109.15 0.2 1 1012 . 87 LYS H H 7.97 0.01 1 1013 . 87 LYS HA H 4.50 0.01 1 1014 . 87 LYS HB2 H 1.86 0.01 1 1015 . 87 LYS HB3 H 1.98 0.01 1 1016 . 87 LYS HG2 H 1.49 0.01 2 1017 . 87 LYS HG3 H 1.44 0.01 2 1018 . 87 LYS HD2 H 1.72 0.01 1 1019 . 87 LYS HD3 H 1.72 0.01 1 1020 . 87 LYS HE2 H 3.08 0.01 1 1021 . 87 LYS HE3 H 3.08 0.01 1 1022 . 87 LYS C C 177.74 0.15 1 1023 . 87 LYS CA C 56.85 0.15 1 1024 . 87 LYS CB C 34.60 0.15 1 1025 . 87 LYS CG C 26.09 0.15 1 1026 . 87 LYS CD C 30.10 0.15 1 1027 . 87 LYS CE C 43.37 0.15 1 1028 . 87 LYS N N 119.64 0.2 1 1029 . 88 GLY H H 8.19 0.01 1 1030 . 88 GLY HA2 H 3.97 0.01 2 1031 . 88 GLY HA3 H 4.21 0.01 2 1032 . 88 GLY CA C 45.84 0.15 1 1033 . 88 GLY N N 109.24 0.2 1 1034 . 89 ASN H H 8.03 0.01 1 1035 . 89 ASN HA H 4.82 0.01 1 1036 . 89 ASN HB2 H 2.47 0.01 1 1037 . 89 ASN HB3 H 2.38 0.01 1 1038 . 89 ASN HD21 H 7.26 0.01 2 1039 . 89 ASN HD22 H 6.55 0.01 2 1040 . 89 ASN C C 175.43 0.15 1 1041 . 89 ASN CA C 54.33 0.15 1 1042 . 89 ASN CB C 41.57 0.15 1 1043 . 89 ASN N N 116.95 0.2 1 1044 . 89 ASN ND2 N 114.71 0.2 1 1045 . 90 TYR H H 8.67 0.01 1 1046 . 90 TYR HA H 4.61 0.01 1 1047 . 90 TYR HB2 H 2.70 0.01 1 1048 . 90 TYR HB3 H 2.80 0.01 1 1049 . 90 TYR HD1 H 6.88 0.01 1 1050 . 90 TYR HD2 H 6.88 0.01 1 1051 . 90 TYR HE1 H 6.91 0.01 1 1052 . 90 TYR HE2 H 6.91 0.01 1 1053 . 90 TYR C C 175.39 0.15 1 1054 . 90 TYR CA C 58.66 0.15 1 1055 . 90 TYR CB C 42.50 0.15 1 1056 . 90 TYR CD1 C 132.43 0.15 1 1057 . 90 TYR CD2 C 132.43 0.15 1 1058 . 90 TYR CE1 C 118.55 0.15 1 1059 . 90 TYR CE2 C 118.55 0.15 1 1060 . 90 TYR N N 118.81 0.2 1 1061 . 91 TRP H H 9.13 0.01 1 1062 . 91 TRP HA H 5.37 0.01 1 1063 . 91 TRP HB2 H 2.99 0.01 1 1064 . 91 TRP HB3 H 2.99 0.01 1 1065 . 91 TRP HD1 H 6.97 0.01 1 1066 . 91 TRP C C 176.01 0.15 1 1067 . 91 TRP CA C 57.80 0.15 1 1068 . 91 TRP CB C 32.46 0.15 1 1069 . 91 TRP CD1 C 125.41 0.15 1 1070 . 91 TRP N N 122.28 0.2 1 1071 . 92 MET H H 9.39 0.01 1 1072 . 92 MET HA H 5.14 0.01 1 1073 . 92 MET HB2 H 2.24 0.01 1 1074 . 92 MET HB3 H 2.33 0.01 1 1075 . 92 MET HG2 H 2.80 0.01 2 1076 . 92 MET HG3 H 2.41 0.01 2 1077 . 92 MET C C 175.32 0.15 1 1078 . 92 MET CA C 55.11 0.15 1 1079 . 92 MET CB C 38.60 0.15 1 1080 . 92 MET CG C 32.56 0.15 1 1081 . 92 MET N N 119.01 0.2 1 1082 . 93 LEU H H 9.05 0.01 1 1083 . 93 LEU HA H 5.14 0.01 1 1084 . 93 LEU HB2 H 1.65 0.01 1 1085 . 93 LEU HB3 H 1.74 0.01 1 1086 . 93 LEU HG H 1.85 0.01 1 1087 . 93 LEU HD1 H 1.09 0.01 2 1088 . 93 LEU HD2 H 0.89 0.01 2 1089 . 93 LEU C C 178.25 0.15 1 1090 . 93 LEU CA C 55.23 0.15 1 1091 . 93 LEU CB C 43.48 0.15 1 1092 . 93 LEU CG C 28.65 0.15 1 1093 . 93 LEU CD1 C 25.90 0.15 2 1094 . 93 LEU CD2 C 26.37 0.15 2 1095 . 93 LEU N N 121.38 0.2 1 1096 . 94 ASP H H 8.69 0.01 1 1097 . 94 ASP HA H 4.77 0.01 1 1098 . 94 ASP HB2 H 2.66 0.01 1 1099 . 94 ASP HB3 H 2.83 0.01 1 1100 . 94 ASP CA C 53.12 0.15 1 1101 . 94 ASP CB C 43.02 0.15 1 1102 . 94 ASP CG C 177.84 0.15 1 1103 . 94 ASP N N 124.59 0.2 1 1104 . 95 PRO HA H 4.57 0.01 1 1105 . 95 PRO HB2 H 2.40 0.01 1 1106 . 95 PRO HB3 H 2.11 0.01 1 1107 . 95 PRO HG2 H 2.18 0.01 1 1108 . 95 PRO HG3 H 2.11 0.01 1 1109 . 95 PRO HD2 H 4.08 0.01 1 1110 . 95 PRO HD3 H 4.00 0.01 1 1111 . 95 PRO CA C 65.40 0.15 1 1112 . 95 PRO CB C 33.15 0.15 1 1113 . 95 PRO CG C 28.18 0.15 1 1114 . 95 PRO CD C 52.32 0.15 1 1115 . 95 PRO N N 130.53 0.2 1 1116 . 96 SER H H 8.63 0.01 1 1117 . 96 SER HA H 4.49 0.01 1 1118 . 96 SER HB2 H 4.04 0.01 2 1119 . 96 SER HB3 H 4.00 0.01 2 1120 . 96 SER C C 176.06 0.15 1 1121 . 96 SER CA C 60.62 0.15 1 1122 . 96 SER CB C 64.52 0.15 1 1123 . 96 SER N N 115.72 0.2 1 1124 . 97 SER H H 8.04 0.01 1 1125 . 97 SER HA H 4.51 0.01 1 1126 . 97 SER HB2 H 4.02 0.01 2 1127 . 97 SER HB3 H 3.97 0.01 2 1128 . 97 SER C C 176.06 0.15 1 1129 . 97 SER CA C 59.91 0.15 1 1130 . 97 SER CB C 65.07 0.15 1 1131 . 97 SER N N 117.76 0.2 1 1132 . 98 ASP H H 8.10 0.01 1 1133 . 98 ASP HA H 4.71 0.01 1 1134 . 98 ASP HB2 H 2.72 0.01 2 1135 . 98 ASP HB3 H 2.84 0.01 2 1136 . 98 ASP CA C 55.77 0.15 1 1137 . 98 ASP CB C 42.20 0.15 1 1138 . 98 ASP N N 123.15 0.2 1 1139 . 99 ASP H H 8.24 0.01 1 1140 . 99 ASP HA H 4.72 0.01 1 1141 . 99 ASP HB2 H 2.74 0.01 2 1142 . 99 ASP HB3 H 2.71 0.01 2 1143 . 99 ASP C C 177.30 0.15 1 1144 . 99 ASP CA C 55.69 0.15 1 1145 . 99 ASP CB C 42.00 0.15 1 1146 . 99 ASP N N 120.99 0.2 1 1147 . 100 VAL H H 7.87 0.01 1 1148 . 100 VAL HA H 4.11 0.01 1 1149 . 100 VAL HB H 2.11 0.01 1 1150 . 100 VAL HG1 H 0.88 0.01 1 1151 . 100 VAL HG2 H 0.91 0.01 1 1152 . 100 VAL C C 176.89 0.15 1 1153 . 100 VAL CA C 63.75 0.15 1 1154 . 100 VAL CB C 33.44 0.15 1 1155 . 100 VAL CG1 C 22.17 0.15 1 1156 . 100 VAL CG2 C 21.65 0.15 1 1157 . 100 VAL N N 119.76 0.2 1 1158 . 101 PHE H H 8.27 0.01 1 1159 . 101 PHE HA H 4.77 0.01 1 1160 . 101 PHE HB2 H 3.16 0.01 2 1161 . 101 PHE HB3 H 3.22 0.01 2 1162 . 101 PHE HD1 H 7.34 0.01 1 1163 . 101 PHE HD2 H 7.34 0.01 1 1164 . 101 PHE HE1 H 6.85 0.01 1 1165 . 101 PHE HE2 H 6.85 0.01 1 1166 . 101 PHE CA C 58.92 0.15 1 1167 . 101 PHE CB C 40.53 0.15 1 1168 . 101 PHE CD1 C 131.40 0.15 1 1169 . 101 PHE CD2 C 131.40 0.15 1 1170 . 101 PHE CE1 C 130.50 0.15 1 1171 . 101 PHE CE2 C 130.50 0.15 1 1172 . 101 PHE N N 123.73 0.2 1 1173 . 102 ILE H H 8.06 0.01 1 1174 . 102 ILE HA H 4.24 0.01 1 1175 . 102 ILE HB H 1.96 0.01 1 1176 . 102 ILE HG12 H 1.53 0.01 2 1177 . 102 ILE HG13 H 1.25 0.01 2 1178 . 102 ILE HG2 H 0.99 0.01 1 1179 . 102 ILE HD1 H 0.95 0.01 1 1180 . 102 ILE C C 177.39 0.15 1 1181 . 102 ILE CA C 62.36 0.15 1 1182 . 102 ILE CB C 39.73 0.15 1 1183 . 102 ILE CG1 C 28.43 0.15 1 1184 . 102 ILE CG2 C 18.55 0.15 1 1185 . 102 ILE CD1 C 13.99 0.15 1 1186 . 102 ILE N N 123.02 0.2 1 1187 . 103 GLY H H 8.15 0.01 1 1188 . 103 GLY HA2 H 4.02 0.01 2 1189 . 103 GLY HA3 H 4.06 0.01 2 1190 . 103 GLY C C 175.60 0.15 1 1191 . 103 GLY CA C 46.50 0.15 1 1192 . 103 GLY N N 112.44 0.2 1 1193 . 104 GLY H H 8.30 0.01 1 1194 . 104 GLY HA2 H 4.16 0.01 1 1195 . 104 GLY HA3 H 4.16 0.01 1 1196 . 104 GLY C C 175.64 0.15 1 1197 . 104 GLY CA C 46.49 0.15 1 1198 . 104 GLY N N 109.49 0.2 1 1199 . 105 THR H H 8.24 0.01 1 1200 . 105 THR HA H 4.52 0.01 1 1201 . 105 THR HB H 4.40 0.01 1 1202 . 105 THR HG2 H 1.31 0.01 1 1203 . 105 THR C C 176.13 0.15 1 1204 . 105 THR CA C 63.16 0.15 1 1205 . 105 THR CB C 70.70 0.15 1 1206 . 105 THR CG2 C 22.64 0.15 1 1207 . 105 THR N N 114.00 0.2 1 1208 . 106 THR H H 8.21 0.01 1 1209 . 106 THR HA H 4.53 0.01 1 1210 . 106 THR HB H 4.44 0.01 1 1211 . 106 THR HG2 H 1.30 0.01 1 1212 . 106 THR C C 176.23 0.15 1 1213 . 106 THR CA C 63.29 0.15 1 1214 . 106 THR CB C 70.80 0.15 1 1215 . 106 THR CG2 C 22.61 0.15 1 1216 . 106 THR N N 115.85 0.2 1 1217 . 107 GLY H H 8.40 0.01 1 1218 . 107 GLY HA2 H 4.06 0.01 1 1219 . 107 GLY HA3 H 4.06 0.01 1 1220 . 107 GLY C C 175.20 0.15 1 1221 . 107 GLY CA C 46.67 0.15 1 1222 . 107 GLY N N 111.84 0.2 1 1223 . 108 LYS H H 8.17 0.01 1 1224 . 108 LYS HA H 4.39 0.01 1 1225 . 108 LYS HB2 H 1.84 0.01 2 1226 . 108 LYS HB3 H 1.93 0.01 2 1227 . 108 LYS HG2 H 1.53 0.01 2 1228 . 108 LYS HG3 H 1.49 0.01 2 1229 . 108 LYS HD2 H 1.72 0.01 1 1230 . 108 LYS HD3 H 1.72 0.01 1 1231 . 108 LYS HE2 H 3.01 0.01 1 1232 . 108 LYS HE3 H 3.01 0.01 1 1233 . 108 LYS C C 177.56 0.15 1 1234 . 108 LYS CA C 57.60 0.15 1 1235 . 108 LYS CB C 34.00 0.15 1 1236 . 108 LYS CG C 26.01 0.15 1 1237 . 108 LYS CD C 30.16 0.15 1 1238 . 108 LYS CE C 43.26 0.15 1 1239 . 108 LYS N N 121.38 0.2 1 1240 . 109 LEU H H 8.19 0.01 1 1241 . 109 LEU HA H 4.44 0.01 1 1242 . 109 LEU HB2 H 1.72 0.01 2 1243 . 109 LEU HG H 1.72 0.01 1 1244 . 109 LEU HD1 H 0.97 0.01 1 1245 . 109 LEU HD2 H 0.97 0.01 1 1246 . 109 LEU C C 178.18 0.15 1 1247 . 109 LEU CA C 56.32 0.15 1 1248 . 109 LEU CB C 43.35 0.15 1 1249 . 109 LEU CG C 28.19 0.15 1 1250 . 109 LEU CD1 C 24.73 0.15 2 1251 . 109 LEU CD2 C 25.92 0.15 2 1252 . 109 LEU N N 123.06 0.2 1 1253 . 110 ARG H H 8.31 0.01 1 1254 . 110 ARG HA H 4.44 0.01 1 1255 . 110 ARG HB2 H 1.92 0.01 2 1256 . 110 ARG HB3 H 1.87 0.01 2 1257 . 110 ARG HG2 H 1.74 0.01 1 1258 . 110 ARG HG3 H 1.74 0.01 1 1259 . 110 ARG HD2 H 3.31 0.01 1 1260 . 110 ARG HD3 H 3.31 0.01 1 1261 . 110 ARG C C 177.02 0.15 1 1262 . 110 ARG CA C 57.04 0.15 1 1263 . 110 ARG CB C 31.73 0.15 1 1264 . 110 ARG CG C 28.22 0.15 1 1265 . 110 ARG CD C 44.51 0.15 1 1266 . 110 ARG N N 122.88 0.2 1 1267 . 111 ARG H H 8.34 0.01 1 1268 . 111 ARG HA H 4.43 0.01 1 1269 . 111 ARG HB2 H 1.96 0.01 1 1270 . 111 ARG HB3 H 1.85 0.01 1 1271 . 111 ARG HG2 H 1.74 0.01 2 1272 . 111 ARG HD2 H 3.36 0.01 2 1273 . 111 ARG C C 177.16 0.15 1 1274 . 111 ARG CA C 57.12 0.15 1 1275 . 111 ARG CB C 31.86 0.15 1 1276 . 111 ARG CG C 28.28 0.15 1 1277 . 111 ARG CD C 43.10 0.15 1 1278 . 111 ARG N N 123.15 0.2 1 1279 . 112 ARG H H 8.47 0.01 1 1280 . 112 ARG HA H 4.45 0.01 1 1281 . 112 ARG HB2 H 1.96 0.01 1 1282 . 112 ARG HB3 H 1.91 0.01 1 1283 . 112 ARG HG2 H 1.74 0.01 1 1284 . 112 ARG HG3 H 1.74 0.01 1 1285 . 112 ARG HD2 H 3.31 0.01 1 1286 . 112 ARG HD3 H 3.31 0.01 1 1287 . 112 ARG CA C 57.22 0.15 1 1288 . 112 ARG CB C 31.97 0.15 1 1289 . 112 ARG CG C 28.23 0.15 1 1290 . 112 ARG CD C 44.51 0.15 1 1291 . 112 ARG N N 123.54 0.2 1 1292 . 113 SER H H 8.33 0.01 1 1293 . 113 SER HA H 4.66 0.01 1 1294 . 113 SER HB2 H 4.00 0.01 1 1295 . 113 SER HB3 H 4.00 0.01 1 1296 . 113 SER HG H 5.19 0.01 1 1297 . 113 SER C C 175.81 0.15 1 1298 . 113 SER CA C 59.27 0.15 1 1299 . 113 SER CB C 64.92 0.15 1 1300 . 113 SER N N 118.14 0.2 1 1301 . 114 THR H H 8.22 0.01 1 1302 . 114 THR HA H 4.53 0.01 1 1303 . 114 THR HB H 4.44 0.01 1 1304 . 114 THR HG2 H 1.33 0.01 1 1305 . 114 THR C C 175.83 0.15 1 1306 . 114 THR CA C 62.94 0.15 1 1307 . 114 THR CB C 70.99 0.15 1 1308 . 114 THR CG2 C 22.60 0.15 1 1309 . 114 THR N N 116.70 0.2 1 1310 . 115 THR H H 8.22 0.01 1 1311 . 115 THR HA H 4.49 0.01 1 1312 . 115 THR HB H 4.35 0.01 1 1313 . 115 THR HG2 H 1.31 0.01 1 1314 . 115 THR C C 175.60 0.15 1 1315 . 115 THR CA C 62.99 0.15 1 1316 . 115 THR CB C 70.98 0.15 1 1317 . 115 THR CG2 C 22.65 0.15 1 1318 . 115 THR N N 116.88 0.2 1 1319 . 116 SER H H 8.36 0.01 1 1320 . 116 SER HA H 4.57 0.01 1 1321 . 116 SER HB2 H 4.02 0.01 2 1322 . 116 SER HB3 H 3.97 0.01 2 1323 . 116 SER C C 177.49 0.15 1 1324 . 116 SER CA C 59.59 0.15 1 1325 . 116 SER CB C 64.80 0.15 1 1326 . 116 SER N N 119.22 0.2 1 1327 . 117 ARG H H 8.47 0.01 1 1328 . 117 ARG HA H 4.45 0.01 1 1329 . 117 ARG HB2 H 1.95 0.01 1 1330 . 117 ARG HB3 H 1.86 0.01 1 1331 . 117 ARG HG2 H 1.74 0.01 1 1332 . 117 ARG HG3 H 1.74 0.01 1 1333 . 117 ARG HD2 H 3.31 0.01 2 1334 . 117 ARG CA C 57.39 0.15 1 1335 . 117 ARG CB C 31.66 0.15 1 1336 . 117 ARG CG C 28.23 0.15 1 1337 . 117 ARG CD C 44.55 0.15 1 1338 . 117 ARG N N 124.07 0.2 1 1339 . 118 ALA H H 8.25 0.01 1 1340 . 118 ALA HA H 4.38 0.01 1 1341 . 118 ALA HB H 1.49 0.01 1 1342 . 118 ALA C C 177.00 0.15 1 1343 . 118 ALA CA C 53.82 0.15 1 1344 . 118 ALA CB C 20.19 0.15 1 1345 . 118 ALA N N 125.45 0.2 1 1346 . 119 LYS H H 8.18 0.01 1 1347 . 119 LYS HA H 4.39 0.01 1 1348 . 119 LYS HB2 H 1.91 0.01 2 1349 . 119 LYS HB3 H 1.86 0.01 2 1350 . 119 LYS HG2 H 1.49 0.01 1 1351 . 119 LYS HG3 H 1.49 0.01 1 1352 . 119 LYS HD2 H 1.54 0.01 1 1353 . 119 LYS HD3 H 1.54 0.01 1 1354 . 119 LYS HE2 H 2.85 0.01 1 1355 . 119 LYS HE3 H 2.85 0.01 1 1356 . 119 LYS C C 177.58 0.15 1 1357 . 119 LYS CA C 57.52 0.15 1 1358 . 119 LYS CB C 33.77 0.15 1 1359 . 119 LYS CG C 26.04 0.15 1 1360 . 119 LYS CD C 30.18 0.15 1 1361 . 119 LYS CE C 43.32 0.15 1 1362 . 119 LYS N N 121.02 0.2 1 1363 . 120 LEU H H 8.13 0.01 1 1364 . 120 LEU HA H 4.44 0.01 1 1365 . 120 LEU HB2 H 1.72 0.01 2 1366 . 120 LEU HB3 H 1.63 0.01 2 1367 . 120 LEU HG H 1.72 0.01 1 1368 . 120 LEU HD1 H 1.02 0.01 2 1369 . 120 LEU HD2 H 0.97 0.01 2 1370 . 120 LEU C C 177.86 0.15 1 1371 . 120 LEU CA C 56.15 0.15 1 1372 . 120 LEU CB C 43.43 0.15 1 1373 . 120 LEU CG C 26.01 0.15 1 1374 . 120 LEU CD1 C 26.00 0.15 2 1375 . 120 LEU CD2 C 24.59 0.15 2 1376 . 120 LEU N N 123.69 0.2 1 1377 . 121 ALA H H 8.17 0.01 1 1378 . 121 ALA HA H 4.43 0.01 1 1379 . 121 ALA HB H 1.49 0.01 1 1380 . 121 ALA CA C 53.43 0.15 1 1381 . 121 ALA CB C 20.28 0.15 1 1382 . 121 ALA N N 125.18 0.2 1 1383 . 122 PHE H H 7.69 0.01 1 1384 . 122 PHE HA H 4.76 0.01 1 1385 . 122 PHE HB2 H 3.16 0.01 2 1386 . 122 PHE HB3 H 3.25 0.01 2 1387 . 122 PHE HD1 H 6.80 0.01 1 1388 . 122 PHE HD2 H 6.80 0.01 1 1389 . 122 PHE HE1 H 6.85 0.01 1 1390 . 122 PHE HE2 H 6.85 0.01 1 1391 . 122 PHE C C 176.48 0.15 1 1392 . 122 PHE CA C 58.57 0.15 1 1393 . 122 PHE CB C 40.68 0.15 1 1394 . 122 PHE CD1 C 131.35 0.15 1 1395 . 122 PHE CD2 C 131.35 0.15 1 1396 . 122 PHE CE1 C 130.50 0.15 1 1397 . 122 PHE CE2 C 130.50 0.15 1 1398 . 122 PHE N N 120.04 0.2 1 1399 . 123 LYS H H 8.21 0.01 1 1400 . 123 LYS HA H 4.45 0.01 1 1401 . 123 LYS HB2 H 1.86 0.01 2 1402 . 123 LYS HB3 H 1.81 0.01 2 1403 . 123 LYS HG2 H 1.49 0.01 1 1404 . 123 LYS HG3 H 1.49 0.01 1 1405 . 123 LYS HD2 H 1.80 0.01 1 1406 . 123 LYS HD3 H 1.80 0.01 1 1407 . 123 LYS HE2 H 3.17 0.01 1 1408 . 123 LYS HE3 H 3.17 0.01 1 1409 . 123 LYS C C 177.30 0.15 1 1410 . 123 LYS CA C 57.13 0.15 1 1411 . 123 LYS CB C 34.29 0.15 1 1412 . 123 LYS CG C 25.80 0.15 1 1413 . 123 LYS CD C 30.15 0.15 1 1414 . 123 LYS CE C 43.22 0.15 1 1415 . 123 LYS N N 124.11 0.2 1 1416 . 124 ARG H H 8.37 0.01 1 1417 . 124 ARG HA H 4.39 0.01 1 1418 . 124 ARG HB2 H 1.91 0.01 1 1419 . 124 ARG HB3 H 1.96 0.01 1 1420 . 124 ARG HG2 H 1.77 0.01 1 1421 . 124 ARG HG3 H 1.77 0.01 1 1422 . 124 ARG HD2 H 3.33 0.01 1 1423 . 124 ARG HD3 H 3.33 0.01 1 1424 . 124 ARG C C 177.66 0.15 1 1425 . 124 ARG CA C 57.45 0.15 1 1426 . 124 ARG CB C 31.69 0.15 1 1427 . 124 ARG CG C 28.24 0.15 1 1428 . 124 ARG CD C 44.56 0.15 1 1429 . 124 ARG N N 123.72 0.2 1 1430 . 125 GLY H H 8.48 0.01 1 1431 . 125 GLY HA2 H 4.06 0.01 1 1432 . 125 GLY HA3 H 4.06 0.01 1 1433 . 125 GLY C C 174.52 0.15 1 1434 . 125 GLY CA C 46.24 0.15 1 1435 . 125 GLY N N 111.48 0.2 1 1436 . 126 ALA H H 8.19 0.01 1 1437 . 126 ALA HA H 4.38 0.01 1 1438 . 126 ALA HB H 1.51 0.01 1 1439 . 126 ALA C C 177.77 0.15 1 1440 . 126 ALA CA C 53.60 0.15 1 1441 . 126 ALA CB C 20.51 0.15 1 1442 . 126 ALA N N 124.98 0.2 1 1443 . 127 ARG H H 7.93 0.01 1 1444 . 127 ARG HA H 4.25 0.01 1 1445 . 127 ARG HB2 H 1.96 0.01 2 1446 . 127 ARG HB3 H 1.81 0.01 2 1447 . 127 ARG HG2 H 1.72 0.01 1 1448 . 127 ARG HG3 H 1.72 0.01 1 1449 . 127 ARG HD2 H 3.31 0.01 1 1450 . 127 ARG HD3 H 3.31 0.01 1 1451 . 127 ARG HE H 7.33 0.01 1 1452 . 127 ARG CA C 58.45 0.15 1 1453 . 127 ARG CB C 32.56 0.15 1 1454 . 127 ARG CG C 28.28 0.15 1 1455 . 127 ARG CD C 43.10 0.15 1 1456 . 127 ARG N N 125.70 0.01 1 stop_ save_