data_5566 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C Resonance Assignments for the PTB Domain of the Signaling Protein Shc ; _BMRB_accession_number 5566 _BMRB_flat_file_name bmr5566.str _Entry_type original _Submission_date 2002-10-30 _Accession_date 2002-10-31 _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 Farooq Amjad . . 2 Zeng Lei . . 3 Zhou Ming-Ming . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 689 "13C chemical shifts" 451 "15N chemical shifts" 167 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-03-18 original author . stop_ _Original_release_date 2003-03-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N and 13C resonance assignments for the PTB domain of the signaling protein Shc ; _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 Farooq Amjad . . 2 Zeng Lei . . 3 Zhou Ming-Ming . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 25 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 255 _Page_last 256 _Year 2003 _Details . loop_ _Keyword 'PTB domain' 'Signaling protein Shc' stop_ save_ ################################## # Molecular system description # ################################## save_system_Shc_PTB_Domain _Saveframe_category molecular_system _Mol_system_name 'Phosphotyrosine binding domain of Shc' _Abbreviation_common 'Shc PTB Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Shc PTB Domain' $Shc_PTB_Domain stop_ _System_molecular_weight . _System_physical_state 'molten globule' _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Shc_PTB_Domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Phosphotyrosine Binding Domain' _Abbreviation_common 'PTB Domain' _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 207 _Mol_residue_sequence ; MNKLSGGGGRRTRVEGGQLG GEEWTRHGSFVNKPTRGWLH PNDKVMGPGVSYLVRYMGCV EVLQSMRALDFNTRTQVTRE AISLVCEAVPGAKGATRRRK PCSRPLSSILGRSNLKFAGM PITLTVSTSSLNLMAADCKQ IIANHHMQSISFASGGDPDT AEYVAYVAKDPVNQRACHIL ECPEGLAQDVISTIGQAFEL RFKQYLR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 LYS 4 LEU 5 SER 6 GLY 7 GLY 8 GLY 9 GLY 10 ARG 11 ARG 12 THR 13 ARG 14 VAL 15 GLU 16 GLY 17 GLY 18 GLN 19 LEU 20 GLY 21 GLY 22 GLU 23 GLU 24 TRP 25 THR 26 ARG 27 HIS 28 GLY 29 SER 30 PHE 31 VAL 32 ASN 33 LYS 34 PRO 35 THR 36 ARG 37 GLY 38 TRP 39 LEU 40 HIS 41 PRO 42 ASN 43 ASP 44 LYS 45 VAL 46 MET 47 GLY 48 PRO 49 GLY 50 VAL 51 SER 52 TYR 53 LEU 54 VAL 55 ARG 56 TYR 57 MET 58 GLY 59 CYS 60 VAL 61 GLU 62 VAL 63 LEU 64 GLN 65 SER 66 MET 67 ARG 68 ALA 69 LEU 70 ASP 71 PHE 72 ASN 73 THR 74 ARG 75 THR 76 GLN 77 VAL 78 THR 79 ARG 80 GLU 81 ALA 82 ILE 83 SER 84 LEU 85 VAL 86 CYS 87 GLU 88 ALA 89 VAL 90 PRO 91 GLY 92 ALA 93 LYS 94 GLY 95 ALA 96 THR 97 ARG 98 ARG 99 ARG 100 LYS 101 PRO 102 CYS 103 SER 104 ARG 105 PRO 106 LEU 107 SER 108 SER 109 ILE 110 LEU 111 GLY 112 ARG 113 SER 114 ASN 115 LEU 116 LYS 117 PHE 118 ALA 119 GLY 120 MET 121 PRO 122 ILE 123 THR 124 LEU 125 THR 126 VAL 127 SER 128 THR 129 SER 130 SER 131 LEU 132 ASN 133 LEU 134 MET 135 ALA 136 ALA 137 ASP 138 CYS 139 LYS 140 GLN 141 ILE 142 ILE 143 ALA 144 ASN 145 HIS 146 HIS 147 MET 148 GLN 149 SER 150 ILE 151 SER 152 PHE 153 ALA 154 SER 155 GLY 156 GLY 157 ASP 158 PRO 159 ASP 160 THR 161 ALA 162 GLU 163 TYR 164 VAL 165 ALA 166 TYR 167 VAL 168 ALA 169 LYS 170 ASP 171 PRO 172 VAL 173 ASN 174 GLN 175 ARG 176 ALA 177 CYS 178 HIS 179 ILE 180 LEU 181 GLU 182 CYS 183 PRO 184 GLU 185 GLY 186 LEU 187 ALA 188 GLN 189 ASP 190 VAL 191 ILE 192 SER 193 THR 194 ILE 195 GLY 196 GLN 197 ALA 198 PHE 199 GLU 200 LEU 201 ARG 202 PHE 203 LYS 204 GLN 205 TYR 206 LEU 207 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 BMRB 16470 ShcA_PTB_domain 92.27 191 100.00 100.00 5.37e-140 BMRB 17080 Shc-PTB 92.27 211 100.00 100.00 7.74e-140 PDB 1N3H "Coupling Of Folding And Binding In The Ptb Domain Of The Signaling Protein Shc" 100.00 207 100.00 100.00 5.19e-152 PDB 1OY2 "Coupling Of Folding And Binding In The Ptb Domain Of The Signaling Protein Shc" 100.00 207 100.00 100.00 5.19e-152 PDB 1SHC "Shc Ptb Domain Complexed With A Trka Receptor Phosphopeptide, Nmr, Minimized Average Structure" 92.27 195 100.00 100.00 6.97e-140 PDB 2L1C "Shc-Ptb:biphosphorylated Integrin Beta3 Cytoplasmic Tail Complex (1:1)" 92.27 211 100.00 100.00 7.74e-140 DBJ BAA74950 "shc transforming protein [Rattus norvegicus]" 66.67 138 100.00 100.00 1.67e-95 DBJ BAC33706 "unnamed protein product [Mus musculus]" 100.00 469 100.00 100.00 3.48e-148 DBJ BAE33083 "unnamed protein product [Mus musculus]" 100.00 579 100.00 100.00 2.39e-147 DBJ BAF84832 "unnamed protein product [Homo sapiens]" 100.00 474 100.00 100.00 4.67e-148 DBJ BAF98733 "unnamed protein product [Homo sapiens]" 100.00 474 100.00 100.00 4.67e-148 EMBL CAA48251 "SHC transforming protein [Homo sapiens]" 100.00 473 100.00 100.00 4.10e-148 EMBL CAA70977 "shc p66 [Homo sapiens]" 100.00 583 100.00 100.00 1.59e-147 EMBL CAH92143 "hypothetical protein [Pongo abelii]" 100.00 583 100.00 100.00 2.92e-147 GB AAA91777 "src homology collagen protein 66 kDa isoform [Mus musculus]" 100.00 579 100.00 100.00 2.39e-147 GB AAB49972 "p66shc [Homo sapiens]" 100.00 583 100.00 100.00 1.75e-147 GB AAC52146 "Shcp52 [Mus musculus]" 100.00 469 100.00 100.00 3.48e-148 GB AAH14158 "SHC (Src homology 2 domain containing) transforming protein 1 [Homo sapiens]" 100.00 474 100.00 100.00 4.67e-148 GB AAH36172 "Src homology 2 domain-containing transforming protein C1 [Mus musculus]" 100.00 469 100.00 100.00 3.48e-148 REF NP_001068773 "SHC-transforming protein 1 isoform b [Bos taurus]" 100.00 473 100.00 100.00 2.96e-148 REF NP_001106802 "SHC-transforming protein 1 isoform a [Mus musculus]" 100.00 579 100.00 100.00 2.39e-147 REF NP_001123512 "SHC-transforming protein 1 isoform 3 [Homo sapiens]" 100.00 584 100.00 100.00 1.93e-147 REF NP_001123513 "SHC-transforming protein 1 isoform 4 [Homo sapiens]" 100.00 473 100.00 100.00 4.10e-148 REF NP_001126253 "SHC-transforming protein 1 [Pongo abelii]" 100.00 583 100.00 100.00 2.92e-147 SP P29353 "RecName: Full=SHC-transforming protein 1; AltName: Full=SHC-transforming protein 3; AltName: Full=SHC-transforming protein A; A" 100.00 583 100.00 100.00 1.57e-147 SP P98083 "RecName: Full=SHC-transforming protein 1; AltName: Full=SHC-transforming protein A; AltName: Full=Src homology 2 domain-contain" 100.00 579 100.00 100.00 2.39e-147 SP Q0IIE2 "RecName: Full=SHC-transforming protein 1; AltName: Full=Src homology 2 domain-containing-transforming protein C1; Short=SH2 dom" 100.00 473 100.00 100.00 2.96e-148 SP Q5M824 "RecName: Full=SHC-transforming protein 1; AltName: Full=Src homology 2 domain-containing-transforming protein C1; Short=SH2 dom" 100.00 469 99.52 99.52 2.94e-147 SP Q5R7W7 "RecName: Full=SHC-transforming protein 1; AltName: Full=Src homology 2 domain-containing-transforming protein C1; Short=SH2 dom" 100.00 583 100.00 100.00 2.92e-147 TPG DAA31779 "TPA: SHC-transforming protein 1 isoform b [Bos taurus]" 100.00 473 100.00 100.00 2.96e-148 TPG DAA31780 "TPA: SHC-transforming protein 1 isoform a [Bos taurus]" 100.00 583 100.00 100.00 9.96e-148 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Shc_PTB_Domain 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 $Shc_PTB_Domain '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 $Shc_PTB_Domain 0.5 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 308 1 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP H 1 'methyl protons' ppm 0.00 external indirect cylindrical external perpendicular 1.0 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Shc PTB Domain' _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 . 11 ARG CA C 55.77 0.00 1 2 . 11 ARG CB C 30.56 0.00 1 3 . 11 ARG CG C 27.50 0.00 1 4 . 11 ARG CD C 43.01 0.00 1 5 . 12 THR H H 8.18 0.00 1 6 . 12 THR HA H 4.42 0.00 1 7 . 12 THR HB H 4.29 0.00 1 8 . 12 THR CA C 61.61 0.00 1 9 . 12 THR CB C 69.58 0.00 1 10 . 12 THR N N 115.48 0.00 1 11 . 13 ARG H H 8.33 0.00 1 12 . 13 ARG HA H 4.39 0.00 1 13 . 13 ARG CA C 55.72 0.00 1 14 . 13 ARG CB C 30.52 0.00 1 15 . 13 ARG CG C 26.91 0.00 1 16 . 13 ARG CD C 43.07 0.00 1 17 . 13 ARG N N 123.45 0.00 1 18 . 14 VAL H H 8.18 0.00 1 19 . 14 VAL HA H 4.13 0.00 1 20 . 14 VAL HB H 2.06 0.00 1 21 . 14 VAL HG1 H 0.93 0.00 1 22 . 14 VAL CA C 62.18 0.00 1 23 . 14 VAL CB C 32.87 0.00 1 24 . 14 VAL CG1 C 21.11 0.00 1 25 . 14 VAL N N 121.76 0.00 1 26 . 15 GLU H H 8.49 0.00 1 27 . 15 GLU HA H 4.29 0.00 1 28 . 15 GLU HB2 H 1.97 0.00 1 29 . 15 GLU HB3 H 2.08 0.00 1 30 . 15 GLU HG3 H 2.27 0.00 1 31 . 15 GLU CA C 56.88 0.00 1 32 . 15 GLU CB C 30.29 0.00 1 33 . 15 GLU CG C 36.17 0.00 1 34 . 15 GLU N N 124.78 0.00 1 35 . 16 GLY H H 8.37 0.00 1 36 . 16 GLY HA3 H 3.97 0.00 1 37 . 16 GLY CA C 45.34 0.00 1 38 . 16 GLY N N 109.69 0.00 1 39 . 17 GLY H H 8.27 0.00 1 40 . 17 GLY HA3 H 3.95 0.00 1 41 . 17 GLY CA C 44.75 0.00 1 42 . 17 GLY N N 108.61 0.00 1 43 . 18 GLN H H 8.27 0.00 1 44 . 18 GLN HA H 4.36 0.00 1 45 . 18 GLN HB2 H 1.98 0.00 1 46 . 18 GLN HB3 H 2.11 0.00 1 47 . 18 GLN HG3 H 2.34 0.00 1 48 . 18 GLN CA C 55.76 0.00 1 49 . 18 GLN CB C 29.58 0.00 1 50 . 18 GLN CG C 33.73 0.00 1 51 . 18 GLN N N 119.69 0.00 1 52 . 19 LEU H H 8.33 0.00 1 53 . 19 LEU HA H 4.40 0.00 1 54 . 19 LEU HB3 H 1.63 0.00 1 55 . 19 LEU HG H 1.45 0.00 1 56 . 19 LEU HD1 H 0.87 0.00 1 57 . 19 LEU HD2 H 0.77 0.00 1 58 . 19 LEU CA C 55.46 0.00 1 59 . 19 LEU CB C 42.29 0.00 1 60 . 19 LEU CG C 24.40 0.00 1 61 . 19 LEU CD1 C 23.40 0.00 1 62 . 19 LEU N N 123.23 0.00 1 63 . 20 GLY H H 8.35 0.00 1 64 . 20 GLY HA3 H 3.95 0.00 1 65 . 20 GLY CA C 44.84 0.00 1 66 . 20 GLY N N 109.72 0.00 1 67 . 21 GLY H H 8.27 0.00 1 68 . 21 GLY HA3 H 3.97 0.00 1 69 . 21 GLY CA C 44.82 0.00 1 70 . 21 GLY N N 108.61 0.00 1 71 . 22 GLU H H 8.43 0.00 1 72 . 22 GLU HA H 4.29 0.00 1 73 . 22 GLU HB2 H 1.86 0.00 1 74 . 22 GLU HB3 H 1.96 0.00 1 75 . 22 GLU HG3 H 2.27 0.00 1 76 . 22 GLU CA C 56.46 0.00 1 77 . 22 GLU CB C 29.74 0.00 1 78 . 22 GLU CG C 36.10 0.00 1 79 . 22 GLU N N 120.35 0.00 1 80 . 23 GLU H H 8.65 0.00 1 81 . 23 GLU HA H 4.19 0.00 1 82 . 23 GLU HB3 H 1.98 0.00 1 83 . 23 GLU HG3 H 2.23 0.00 1 84 . 23 GLU CA C 57.36 0.00 1 85 . 23 GLU CB C 29.62 0.00 1 86 . 23 GLU CG C 36.34 0.00 1 87 . 23 GLU N N 121.46 0.00 1 88 . 24 TRP H H 8.06 0.00 1 89 . 24 TRP HA H 4.61 0.00 1 90 . 24 TRP HB2 H 3.30 0.00 1 91 . 24 TRP HB3 H 3.35 0.00 1 92 . 24 TRP HD1 H 7.26 0.00 1 93 . 24 TRP HE1 H 9.96 0.00 1 94 . 24 TRP HZ2 H 7.45 0.00 1 95 . 24 TRP HZ3 H 7.04 0.00 1 96 . 24 TRP CA C 58.05 0.00 1 97 . 24 TRP CB C 29.11 0.00 1 98 . 24 TRP CD1 C 126.87 0.00 1 99 . 24 TRP CZ2 C 114.35 0.00 1 100 . 24 TRP CZ3 C 124.37 0.00 1 101 . 24 TRP N N 120.58 0.00 1 102 . 24 TRP NE1 N 129.43 0.00 1 103 . 25 THR H H 7.54 0.00 1 104 . 25 THR HA H 4.08 0.00 1 105 . 25 THR HB H 4.24 0.00 1 106 . 25 THR HG2 H 0.79 0.00 1 107 . 25 THR CA C 62.19 0.00 1 108 . 25 THR CB C 69.38 0.00 1 109 . 25 THR N N 112.82 0.00 1 110 . 26 ARG H H 7.85 0.00 1 111 . 26 ARG N N 126.14 0.00 1 112 . 29 SER H H 8.24 0.00 1 113 . 29 SER N N 113.97 0.00 1 114 . 30 PHE H H 7.99 0.00 1 115 . 30 PHE CA C 54.70 0.00 1 116 . 30 PHE CB C 41.77 0.00 1 117 . 30 PHE N N 121.34 0.00 1 118 . 31 VAL H H 7.99 0.00 1 119 . 31 VAL CA C 59.32 0.00 1 120 . 31 VAL CB C 32.34 0.00 1 121 . 31 VAL N N 122.17 0.00 1 122 . 35 THR H H 7.75 0.00 1 123 . 35 THR N N 113.07 0.00 1 124 . 36 ARG CA C 55.73 0.00 1 125 . 36 ARG CB C 29.74 0.00 1 126 . 36 ARG CD C 43.23 0.00 1 127 . 37 GLY H H 7.79 0.00 1 128 . 37 GLY CA C 43.72 0.00 1 129 . 37 GLY N N 108.18 0.00 1 130 . 38 TRP H H 8.00 0.00 1 131 . 38 TRP HA H 4.90 0.00 1 132 . 38 TRP HB2 H 3.19 0.00 1 133 . 38 TRP HB3 H 3.22 0.00 1 134 . 38 TRP HD1 H 7.30 0.00 1 135 . 38 TRP HE1 H 10.37 0.00 1 136 . 38 TRP HE3 H 7.80 0.00 1 137 . 38 TRP HZ3 H 7.22 0.00 1 138 . 38 TRP CA C 55.46 0.00 1 139 . 38 TRP CB C 30.52 0.00 1 140 . 38 TRP CD1 C 126.87 0.00 1 141 . 38 TRP CE3 C 121.86 0.00 1 142 . 38 TRP CZ3 C 122.70 0.00 1 143 . 38 TRP N N 118.80 0.00 1 144 . 38 TRP NE1 N 129.21 0.00 1 145 . 39 LEU H H 8.93 0.00 1 146 . 39 LEU HA H 4.10 0.00 1 147 . 39 LEU HB2 H 1.11 0.00 1 148 . 39 LEU HB3 H 1.28 0.00 1 149 . 39 LEU HG H 1.60 0.00 1 150 . 39 LEU HD1 H 0.81 0.00 1 151 . 39 LEU HD2 H 0.97 0.00 1 152 . 39 LEU CA C 56.41 0.00 1 153 . 39 LEU CB C 42.76 0.00 1 154 . 39 LEU CD1 C 22.80 0.00 1 155 . 39 LEU CD2 C 25.55 0.00 1 156 . 39 LEU N N 119.91 0.00 1 157 . 40 HIS H H 7.14 0.00 1 158 . 40 HIS HA H 5.12 0.00 1 159 . 40 HIS HB3 H 2.75 0.00 1 160 . 40 HIS CA C 52.93 0.00 1 161 . 40 HIS CB C 31.97 0.00 1 162 . 40 HIS N N 115.04 0.00 1 163 . 41 PRO CA C 62.29 0.00 1 164 . 41 PRO CB C 31.92 0.00 1 165 . 42 ASN H H 8.98 0.00 1 166 . 42 ASN HA H 4.07 0.00 1 167 . 42 ASN HB2 H 2.68 0.00 1 168 . 42 ASN HB3 H 2.89 0.00 1 169 . 42 ASN CA C 56.12 0.00 1 170 . 42 ASN CB C 37.58 0.00 1 171 . 42 ASN N N 123.90 0.00 1 172 . 43 ASP H H 8.74 0.00 1 173 . 43 ASP HA H 4.20 0.00 1 174 . 43 ASP HB2 H 2.58 0.00 1 175 . 43 ASP HB3 H 2.68 0.00 1 176 . 43 ASP CA C 56.52 0.00 1 177 . 43 ASP CB C 39.70 0.00 1 178 . 43 ASP N N 115.48 0.00 1 179 . 44 LYS H H 7.21 0.00 1 180 . 44 LYS HA H 4.12 0.00 1 181 . 44 LYS HB2 H 1.74 0.00 1 182 . 44 LYS HB3 H 1.85 0.00 1 183 . 44 LYS HG2 H 1.30 0.00 1 184 . 44 LYS HG3 H 1.47 0.00 1 185 . 44 LYS HD3 H 1.67 0.00 1 186 . 44 LYS HE3 H 3.00 0.00 1 187 . 44 LYS CA C 58.52 0.00 1 188 . 44 LYS CB C 32.87 0.00 1 189 . 44 LYS CG C 25.11 0.00 1 190 . 44 LYS CD C 29.11 0.00 1 191 . 44 LYS CE C 41.73 0.00 1 192 . 44 LYS N N 119.47 0.00 1 193 . 45 VAL H H 6.93 0.00 1 194 . 45 VAL HA H 3.41 0.00 1 195 . 45 VAL HB H 1.80 0.00 1 196 . 45 VAL HG1 H 0.71 0.00 1 197 . 45 VAL HG2 H 0.66 0.00 1 198 . 45 VAL CA C 65.82 0.00 1 199 . 45 VAL CB C 31.86 0.00 1 200 . 45 VAL CG1 C 22.52 0.00 1 201 . 45 VAL N N 117.70 0.00 1 202 . 46 MET H H 7.81 0.00 1 203 . 46 MET HA H 4.66 0.00 1 204 . 46 MET HB2 H 1.86 0.00 1 205 . 46 MET HB3 H 2.19 0.00 1 206 . 46 MET HG2 H 2.44 0.00 1 207 . 46 MET HG3 H 2.60 0.00 1 208 . 46 MET HE H 2.04 0.00 1 209 . 46 MET CA C 56.64 0.00 1 210 . 46 MET CB C 34.28 0.00 1 211 . 46 MET CG C 32.40 0.00 1 212 . 46 MET CE C 16.70 0.00 1 213 . 46 MET N N 113.71 0.00 1 214 . 47 GLY H H 7.12 0.00 1 215 . 47 GLY HA2 H 4.32 0.00 1 216 . 47 GLY HA3 H 3.86 0.00 1 217 . 47 GLY CA C 43.46 0.00 1 218 . 47 GLY N N 107.10 0.00 1 219 . 48 PRO HA H 4.31 0.00 1 220 . 48 PRO HB3 H 2.01 0.00 1 221 . 48 PRO HG3 H 2.12 0.00 1 222 . 48 PRO HD2 H 4.13 0.00 1 223 . 48 PRO HD3 H 3.71 0.00 1 224 . 48 PRO CA C 63.70 0.00 1 225 . 48 PRO CB C 31.93 0.00 1 226 . 48 PRO CG C 26.75 0.00 1 227 . 48 PRO CD C 51.23 0.00 1 228 . 49 GLY H H 7.93 0.00 1 229 . 49 GLY HA2 H 3.73 0.00 1 230 . 49 GLY HA3 H 3.97 0.00 1 231 . 49 GLY CA C 43.66 0.00 1 232 . 49 GLY N N 106.62 0.00 1 233 . 50 VAL H H 8.26 0.00 1 234 . 50 VAL HA H 3.97 0.00 1 235 . 50 VAL HB H 1.46 0.00 1 236 . 50 VAL HG1 H 0.19 0.00 1 237 . 50 VAL CA C 60.88 0.00 1 238 . 50 VAL CB C 33.81 0.00 1 239 . 50 VAL CG1 C 20.40 0.00 1 240 . 50 VAL N N 117.70 0.00 1 241 . 51 SER H H 8.15 0.00 1 242 . 51 SER HA H 5.95 0.00 1 243 . 51 SER HB2 H 3.46 0.00 1 244 . 51 SER HB3 H 3.56 0.00 1 245 . 51 SER CA C 57.00 0.00 1 246 . 51 SER CB C 65.82 0.00 1 247 . 51 SER N N 120.58 0.00 1 248 . 52 TYR H H 9.22 0.00 1 249 . 52 TYR HA H 4.72 0.00 1 250 . 52 TYR HB2 H 2.44 0.00 1 251 . 52 TYR HB3 H 2.88 0.00 1 252 . 52 TYR HD1 H 6.98 0.00 3 253 . 52 TYR HE1 H 6.66 0.00 3 254 . 52 TYR CA C 56.72 0.00 1 255 . 52 TYR CB C 43.76 0.00 1 256 . 52 TYR CD1 C 133.13 0.00 3 257 . 52 TYR CE1 C 117.27 0.00 3 258 . 52 TYR N N 120.35 0.00 1 259 . 53 LEU H H 8.55 0.00 1 260 . 53 LEU HA H 5.30 0.00 1 261 . 53 LEU HB2 H 1.62 0.00 1 262 . 53 LEU HB3 H 1.82 0.00 1 263 . 53 LEU HD1 H 0.92 0.00 1 264 . 53 LEU CA C 54.76 0.00 1 265 . 53 LEU CB C 41.34 0.00 1 266 . 53 LEU CD1 C 24.17 0.00 1 267 . 53 LEU N N 125.64 0.00 1 268 . 54 VAL H H 8.51 0.00 1 269 . 54 VAL HA H 4.95 0.00 1 270 . 54 VAL HB H 2.55 0.00 1 271 . 54 VAL HG1 H 0.92 0.00 1 272 . 54 VAL HG2 H 0.83 0.00 1 273 . 54 VAL CA C 58.76 0.00 1 274 . 54 VAL CB C 34.99 0.00 1 275 . 54 VAL CG1 C 23.23 0.00 1 276 . 54 VAL CG2 C 19.98 0.00 1 277 . 54 VAL N N 116.81 0.00 1 278 . 55 ARG H H 8.73 0.00 1 279 . 55 ARG HA H 5.20 0.00 1 280 . 55 ARG HB3 H 1.81 0.00 1 281 . 55 ARG HG2 H 1.32 0.00 1 282 . 55 ARG HG3 H 1.46 0.00 1 283 . 55 ARG HD3 H 3.29 0.00 1 284 . 55 ARG CA C 55.46 0.00 1 285 . 55 ARG CB C 33.58 0.00 1 286 . 55 ARG CG C 27.70 0.00 1 287 . 55 ARG CD C 39.78 0.00 1 288 . 55 ARG N N 120.13 0.00 1 289 . 56 TYR H H 9.13 0.00 1 290 . 56 TYR HA H 4.80 0.00 1 291 . 56 TYR HB2 H 2.96 0.00 1 292 . 56 TYR HB3 H 3.26 0.00 1 293 . 56 TYR HD1 H 7.14 0.00 3 294 . 56 TYR HE1 H 6.96 0.00 3 295 . 56 TYR CA C 58.12 0.00 1 296 . 56 TYR CB C 39.48 0.00 1 297 . 56 TYR CD1 C 133.13 0.00 3 298 . 56 TYR N N 128.55 0.00 1 299 . 57 MET H H 8.78 0.00 1 300 . 57 MET HA H 4.88 0.00 1 301 . 57 MET HB3 H 2.54 0.00 1 302 . 57 MET HG3 H 2.02 0.00 1 303 . 57 MET HE H 2.08 0.00 1 304 . 57 MET CA C 53.03 0.00 1 305 . 57 MET CB C 30.51 0.00 1 306 . 57 MET CE C 17.51 0.00 1 307 . 57 MET N N 123.23 0.00 1 308 . 58 GLY H H 5.37 0.00 1 309 . 58 GLY HA2 H 3.57 0.00 1 310 . 58 GLY HA3 H 4.46 0.00 1 311 . 58 GLY CA C 42.27 0.00 1 312 . 58 GLY N N 128.33 0.00 1 313 . 59 CYS H H 7.67 0.00 1 314 . 59 CYS HA H 5.71 0.00 1 315 . 59 CYS HB2 H 1.57 0.00 1 316 . 59 CYS HB3 H 2.69 0.00 1 317 . 59 CYS CA C 54.05 0.00 1 318 . 59 CYS CB C 32.14 0.00 1 319 . 59 CYS N N 107.51 0.00 1 320 . 60 VAL H H 8.12 0.00 1 321 . 60 VAL HA H 4.61 0.00 1 322 . 60 VAL HB H 1.59 0.00 1 323 . 60 VAL HG1 H 0.85 0.00 1 324 . 60 VAL HG2 H 0.81 0.00 1 325 . 60 VAL CA C 60.17 0.00 1 326 . 60 VAL CB C 35.46 0.00 1 327 . 60 VAL CG1 C 22.28 0.00 1 328 . 60 VAL CG2 C 21.81 0.00 1 329 . 60 VAL N N 117.25 0.00 1 330 . 61 GLU H H 8.45 0.00 1 331 . 61 GLU HA H 4.19 0.00 1 332 . 61 GLU HB3 H 2.08 0.00 1 333 . 61 GLU HG2 H 2.27 0.00 1 334 . 61 GLU HG3 H 2.58 0.00 1 335 . 61 GLU CA C 57.44 0.00 1 336 . 61 GLU CB C 31.70 0.00 1 337 . 61 GLU CG C 36.64 0.00 1 338 . 61 GLU N N 127.88 0.00 1 339 . 62 VAL H H 8.24 0.00 1 340 . 62 VAL HA H 4.62 0.00 1 341 . 62 VAL HB H 1.61 0.00 1 342 . 62 VAL HG1 H 0.97 0.00 1 343 . 62 VAL HG2 H 0.81 0.00 1 344 . 62 VAL CA C 61.58 0.00 1 345 . 62 VAL CB C 33.64 0.00 1 346 . 62 VAL CG1 C 21.90 0.00 1 347 . 62 VAL N N 123.68 0.00 1 348 . 63 LEU H H 9.17 0.00 1 349 . 63 LEU HA H 4.26 0.00 1 350 . 63 LEU HB3 H 1.61 0.00 1 351 . 63 LEU HG H 1.33 0.00 1 352 . 63 LEU HD1 H 0.81 0.00 1 353 . 63 LEU CA C 56.41 0.00 1 354 . 63 LEU CB C 41.88 0.00 1 355 . 63 LEU CD1 C 22.29 0.00 1 356 . 63 LEU N N 126.12 0.00 1 357 . 64 GLN H H 6.85 0.00 1 358 . 64 GLN HA H 4.59 0.00 1 359 . 64 GLN HB2 H 1.59 0.00 1 360 . 64 GLN HB3 H 2.06 0.00 1 361 . 64 GLN HG3 H 2.29 0.00 1 362 . 64 GLN CA C 53.58 0.00 1 363 . 64 GLN CB C 32.40 0.00 1 364 . 64 GLN N N 114.90 0.00 1 365 . 65 SER H H 7.97 0.00 1 366 . 65 SER N N 114.22 0.00 1 367 . 67 ARG H H 8.30 0.00 1 368 . 67 ARG CA C 57.98 0.00 1 369 . 67 ARG CB C 29.26 0.00 1 370 . 67 ARG CD C 42.76 0.00 1 371 . 67 ARG N N 116.61 0.00 1 372 . 68 ALA H H 7.48 0.00 1 373 . 68 ALA HA H 4.35 0.00 1 374 . 68 ALA HB H 1.43 0.00 1 375 . 68 ALA CA C 51.46 0.00 1 376 . 68 ALA CB C 18.99 0.00 1 377 . 68 ALA N N 119.12 0.00 1 378 . 69 LEU H H 7.23 0.00 1 379 . 69 LEU HA H 4.57 0.00 1 380 . 69 LEU HB3 H 1.82 0.00 1 381 . 69 LEU HD1 H 0.73 0.00 1 382 . 69 LEU CA C 52.90 0.00 1 383 . 69 LEU CB C 42.86 0.00 1 384 . 69 LEU CD1 C 22.21 0.00 1 385 . 69 LEU N N 118.80 0.00 1 386 . 70 ASP H H 8.34 0.00 1 387 . 70 ASP HA H 4.57 0.00 1 388 . 70 ASP HB2 H 2.79 0.00 1 389 . 70 ASP HB3 H 3.14 0.00 1 390 . 70 ASP CA C 52.88 0.00 1 391 . 70 ASP CB C 40.64 0.00 1 392 . 70 ASP N N 121.20 0.00 1 393 . 71 PHE CA C 62.34 0.00 1 394 . 71 PHE CB C 39.00 0.00 1 395 . 72 ASN H H 8.73 0.00 1 396 . 72 ASN HA H 4.36 0.00 1 397 . 72 ASN HB2 H 2.79 0.00 1 398 . 72 ASN HB3 H 2.87 0.00 1 399 . 72 ASN CA C 56.02 0.00 1 400 . 72 ASN CB C 37.73 0.00 1 401 . 72 ASN N N 118.14 0.00 1 402 . 73 THR H H 8.41 0.00 1 403 . 73 THR HA H 3.88 0.00 1 404 . 73 THR HB H 4.09 0.00 1 405 . 73 THR HG2 H 1.17 0.00 1 406 . 73 THR CA C 66.76 0.00 1 407 . 73 THR CB C 67.17 0.00 1 408 . 73 THR CG2 C 22.39 0.00 1 409 . 73 THR N N 119.47 0.00 1 410 . 74 ARG H H 8.37 0.00 1 411 . 74 ARG HA H 3.49 0.00 1 412 . 74 ARG CA C 60.20 0.00 1 413 . 74 ARG CB C 28.73 0.00 1 414 . 74 ARG N N 121.24 0.00 1 415 . 75 THR H H 7.62 0.00 1 416 . 75 THR HA H 3.87 0.00 1 417 . 75 THR HB H 4.25 0.00 1 418 . 75 THR HG2 H 1.16 0.00 1 419 . 75 THR CA C 66.24 0.00 1 420 . 75 THR CB C 68.54 0.00 1 421 . 75 THR CG2 C 21.61 0.00 1 422 . 75 THR N N 112.85 0.00 1 423 . 76 GLN H H 7.86 0.00 1 424 . 76 GLN HA H 3.97 0.00 1 425 . 76 GLN HB3 H 2.19 0.00 1 426 . 76 GLN HG2 H 2.40 0.00 1 427 . 76 GLN HG3 H 2.51 0.00 1 428 . 76 GLN CA C 59.23 0.00 1 429 . 76 GLN CB C 28.17 0.00 1 430 . 76 GLN CG C 33.58 0.00 1 431 . 76 GLN N N 122.79 0.00 1 432 . 77 VAL H H 8.33 0.00 1 433 . 77 VAL HA H 3.50 0.00 1 434 . 77 VAL HB H 2.21 0.00 1 435 . 77 VAL HG1 H 0.94 0.00 1 436 . 77 VAL HG2 H 0.75 0.00 1 437 . 77 VAL CA C 66.76 0.00 1 438 . 77 VAL CB C 31.20 0.00 1 439 . 77 VAL CG1 C 24.03 0.00 1 440 . 77 VAL CG2 C 20.87 0.00 1 441 . 77 VAL N N 119.91 0.00 1 442 . 78 THR H H 7.61 0.00 1 443 . 78 THR HA H 3.93 0.00 1 444 . 78 THR HB H 4.04 0.00 1 445 . 78 THR HG2 H 1.24 0.00 1 446 . 78 THR CA C 65.78 0.00 1 447 . 78 THR CB C 68.01 0.00 1 448 . 78 THR CG2 C 23.00 0.00 1 449 . 78 THR N N 109.06 0.00 1 450 . 79 ARG H H 7.85 0.00 1 451 . 79 ARG HA H 3.91 0.00 1 452 . 79 ARG HB3 H 1.78 0.00 1 453 . 79 ARG HD3 H 3.33 0.00 1 454 . 79 ARG CA C 59.18 0.00 1 455 . 79 ARG CB C 29.28 0.00 1 456 . 79 ARG CD C 42.69 0.00 1 457 . 79 ARG N N 121.02 0.00 1 458 . 80 GLU H H 8.34 0.00 1 459 . 80 GLU HA H 4.08 0.00 1 460 . 80 GLU CA C 58.39 0.00 1 461 . 80 GLU CB C 28.59 0.00 1 462 . 80 GLU CG C 35.74 0.00 1 463 . 80 GLU N N 121.24 0.00 1 464 . 81 ALA H H 8.20 0.00 1 465 . 81 ALA HA H 3.88 0.00 1 466 . 81 ALA HB H 1.35 0.00 1 467 . 81 ALA CA C 55.70 0.00 1 468 . 81 ALA CB C 18.38 0.00 1 469 . 81 ALA N N 122.57 0.00 1 470 . 82 ILE H H 7.85 0.00 1 471 . 82 ILE HA H 3.32 0.00 1 472 . 82 ILE HB H 1.79 0.00 1 473 . 82 ILE HG13 H 1.91 0.00 1 474 . 82 ILE HG2 H 0.35 0.00 1 475 . 82 ILE HD1 H 0.76 0.00 1 476 . 82 ILE CA C 65.82 0.00 1 477 . 82 ILE CB C 38.62 0.00 1 478 . 82 ILE CG2 C 17.61 0.00 1 479 . 82 ILE CD1 C 13.81 0.00 1 480 . 82 ILE N N 116.11 0.00 1 481 . 83 SER H H 7.65 0.00 1 482 . 83 SER HA H 3.92 0.00 1 483 . 83 SER CA C 61.89 0.00 1 484 . 83 SER CB C 62.85 0.00 1 485 . 83 SER N N 114.37 0.00 1 486 . 84 LEU H H 8.13 0.00 1 487 . 84 LEU HA H 3.98 0.00 1 488 . 84 LEU HB2 H 1.50 0.00 1 489 . 84 LEU HB3 H 1.84 0.00 1 490 . 84 LEU HG H 1.69 0.00 1 491 . 84 LEU HD1 H 0.85 0.00 1 492 . 84 LEU HD2 H 0.88 0.00 1 493 . 84 LEU CA C 58.29 0.00 1 494 . 84 LEU CB C 42.52 0.00 1 495 . 84 LEU CG C 25.09 0.00 1 496 . 84 LEU CD1 C 24.03 0.00 1 497 . 84 LEU CD2 C 25.80 0.00 1 498 . 84 LEU N N 121.24 0.00 1 499 . 85 VAL H H 7.74 0.00 1 500 . 85 VAL HA H 3.95 0.00 1 501 . 85 VAL HB H 2.24 0.00 1 502 . 85 VAL HG1 H 0.87 0.00 1 503 . 85 VAL HG2 H 0.71 0.00 1 504 . 85 VAL CA C 65.65 0.00 1 505 . 85 VAL CB C 30.75 0.00 1 506 . 85 VAL CG1 C 21.23 0.00 1 507 . 85 VAL CG2 C 21.81 0.00 1 508 . 85 VAL N N 114.82 0.00 1 509 . 86 CYS H H 8.02 0.00 1 510 . 86 CYS HA H 4.02 0.00 1 511 . 86 CYS HB2 H 2.50 0.00 1 512 . 86 CYS HB3 H 2.79 0.00 1 513 . 86 CYS CA C 63.39 0.00 1 514 . 86 CYS CB C 26.28 0.00 1 515 . 86 CYS N N 117.53 0.00 1 516 . 87 GLU H H 7.48 0.00 1 517 . 87 GLU HA H 4.15 0.00 1 518 . 87 GLU HB3 H 2.04 0.00 1 519 . 87 GLU HG3 H 2.34 0.00 1 520 . 87 GLU CA C 57.15 0.00 1 521 . 87 GLU CB C 29.45 0.00 1 522 . 87 GLU CG C 36.07 0.00 1 523 . 87 GLU N N 116.81 0.00 1 524 . 88 ALA H H 7.35 0.00 1 525 . 88 ALA HA H 4.40 0.00 1 526 . 88 ALA HB H 1.47 0.00 1 527 . 88 ALA CA C 52.80 0.00 1 528 . 88 ALA CB C 21.07 0.00 1 529 . 88 ALA N N 120.05 0.00 1 530 . 89 VAL H H 7.62 0.00 1 531 . 89 VAL HA H 4.35 0.00 1 532 . 89 VAL HB H 2.07 0.00 1 533 . 89 VAL HG1 H 1.07 0.00 1 534 . 89 VAL HG2 H 0.94 0.00 1 535 . 89 VAL CA C 60.10 0.00 1 536 . 89 VAL CB C 33.22 0.00 1 537 . 89 VAL CG1 C 22.05 0.00 1 538 . 89 VAL CG2 C 20.71 0.00 1 539 . 89 VAL N N 120.35 0.00 1 540 . 90 PRO HA H 4.31 0.00 1 541 . 90 PRO HB2 H 1.94 0.00 1 542 . 90 PRO HB3 H 2.28 0.00 1 543 . 90 PRO HG2 H 2.00 0.00 1 544 . 90 PRO HG3 H 2.11 0.00 1 545 . 90 PRO HD3 H 3.71 0.00 1 546 . 90 PRO CA C 63.65 0.00 1 547 . 90 PRO CB C 31.98 0.00 1 548 . 90 PRO CG C 27.46 0.00 1 549 . 91 GLY H H 8.56 0.00 1 550 . 91 GLY HA2 H 3.89 0.00 1 551 . 91 GLY HA3 H 4.06 0.00 1 552 . 91 GLY CA C 44.66 0.00 1 553 . 91 GLY N N 109.94 0.00 1 554 . 92 ALA H H 8.09 0.00 1 555 . 92 ALA HA H 4.33 0.00 1 556 . 92 ALA HB H 1.53 0.00 1 557 . 92 ALA CA C 52.94 0.00 1 558 . 92 ALA CB C 19.17 0.00 1 559 . 92 ALA N N 124.12 0.00 1 560 . 93 LYS H H 8.73 0.00 1 561 . 93 LYS HA H 4.22 0.00 1 562 . 93 LYS HB2 H 1.81 0.00 1 563 . 93 LYS HB3 H 1.92 0.00 1 564 . 93 LYS HG3 H 1.50 0.00 1 565 . 93 LYS HE3 H 3.02 0.00 1 566 . 93 LYS CA C 57.58 0.00 1 567 . 93 LYS CB C 31.93 0.00 1 568 . 93 LYS CG C 25.10 0.00 1 569 . 93 LYS N N 122.35 0.00 1 570 . 94 GLY H H 8.61 0.00 1 571 . 94 GLY HA3 H 3.99 0.00 1 572 . 94 GLY CA C 45.06 0.00 1 573 . 94 GLY N N 106.85 0.00 1 574 . 95 ALA H H 7.79 0.00 1 575 . 95 ALA HA H 4.37 0.00 1 576 . 95 ALA HB H 1.46 0.00 1 577 . 95 ALA CA C 52.88 0.00 1 578 . 95 ALA CB C 19.42 0.00 1 579 . 95 ALA N N 122.76 0.00 1 580 . 96 THR H H 8.08 0.00 1 581 . 96 THR HA H 4.34 0.00 1 582 . 96 THR HB H 4.20 0.00 1 583 . 96 THR HG2 H 1.20 0.00 1 584 . 96 THR CA C 61.82 0.00 1 585 . 96 THR CB C 69.58 0.00 1 586 . 96 THR CG2 C 21.64 0.00 1 587 . 96 THR N N 111.72 0.00 1 588 . 97 ARG H H 7.98 0.00 1 589 . 97 ARG HA H 4.30 0.00 1 590 . 97 ARG HB3 H 1.77 0.00 1 591 . 97 ARG HG3 H 1.61 0.00 1 592 . 97 ARG HD3 H 3.19 0.00 1 593 . 97 ARG CA C 56.04 0.00 1 594 . 97 ARG CB C 30.32 0.00 1 595 . 97 ARG CG C 27.16 0.00 1 596 . 97 ARG CD C 43.21 0.00 1 597 . 97 ARG N N 122.35 0.00 1 598 . 98 ARG H H 8.28 0.00 1 599 . 98 ARG HA H 4.29 0.00 1 600 . 98 ARG HB3 H 1.75 0.00 1 601 . 98 ARG HG3 H 1.60 0.00 1 602 . 98 ARG CA C 55.59 0.00 1 603 . 98 ARG CB C 30.08 0.00 1 604 . 98 ARG CG C 27.12 0.00 1 605 . 98 ARG CD C 43.04 0.00 1 606 . 98 ARG N N 122.35 0.00 1 607 . 99 ARG H H 8.38 0.00 1 608 . 99 ARG HA H 4.31 0.00 1 609 . 99 ARG HB3 H 1.80 0.00 1 610 . 99 ARG HG3 H 1.62 0.00 1 611 . 99 ARG CA C 55.37 0.00 1 612 . 99 ARG CB C 30.63 0.00 1 613 . 99 ARG CG C 26.76 0.00 1 614 . 99 ARG CD C 43.04 0.00 1 615 . 99 ARG N N 123.23 0.00 1 616 . 100 LYS H H 8.38 0.00 1 617 . 100 LYS HA H 4.59 0.00 1 618 . 100 LYS HB2 H 1.72 0.00 1 619 . 100 LYS HB3 H 1.82 0.00 1 620 . 100 LYS HG3 H 1.48 0.00 1 621 . 100 LYS HD3 H 1.58 0.00 1 622 . 100 LYS HE3 H 3.64 0.00 1 623 . 100 LYS CA C 54.52 0.00 1 624 . 100 LYS CB C 32.40 0.00 1 625 . 100 LYS CG C 24.40 0.00 1 626 . 100 LYS N N 124.34 0.00 1 627 . 102 CYS H H 8.43 0.00 1 628 . 102 CYS HA H 4.50 0.00 1 629 . 102 CYS HB2 H 2.91 0.00 1 630 . 102 CYS HB3 H 2.96 0.00 1 631 . 102 CYS CA C 58.15 0.00 1 632 . 102 CYS CB C 28.12 0.00 1 633 . 102 CYS N N 120.73 0.00 1 634 . 103 SER H H 8.36 0.00 1 635 . 103 SER CA C 58.32 0.00 1 636 . 103 SER CB C 63.70 0.00 1 637 . 103 SER N N 113.90 0.00 1 638 . 104 ARG H H 8.27 0.00 1 639 . 104 ARG CA C 54.43 0.00 1 640 . 104 ARG CB C 32.19 0.00 1 641 . 104 ARG N N 123.19 0.00 1 642 . 105 PRO HA H 4.42 0.00 1 643 . 105 PRO HB2 H 1.92 0.00 1 644 . 105 PRO HB3 H 2.28 0.00 1 645 . 105 PRO HG3 H 1.99 0.00 1 646 . 105 PRO HD2 H 3.65 0.00 1 647 . 105 PRO HD3 H 3.71 0.00 1 648 . 105 PRO CA C 63.23 0.00 1 649 . 105 PRO CB C 31.98 0.00 1 650 . 105 PRO CG C 27.46 0.00 1 651 . 105 PRO CD C 50.76 0.00 1 652 . 106 LEU H H 8.42 0.00 1 653 . 106 LEU HA H 4.31 0.00 1 654 . 106 LEU HB2 H 1.58 0.00 1 655 . 106 LEU HB3 H 1.70 0.00 1 656 . 106 LEU HD1 H 0.82 0.00 1 657 . 106 LEU CA C 54.82 0.00 1 658 . 106 LEU CB C 41.34 0.00 1 659 . 106 LEU N N 121.46 0.00 1 660 . 107 SER H H 8.28 0.00 1 661 . 107 SER HA H 4.29 0.00 1 662 . 107 SER HB2 H 3.88 0.00 1 663 . 107 SER HB3 H 3.96 0.00 1 664 . 107 SER CA C 59.97 0.00 1 665 . 107 SER CB C 62.99 0.00 1 666 . 107 SER N N 115.92 0.00 1 667 . 108 SER CA C 58.98 0.00 1 668 . 108 SER CB C 63.13 0.00 1 669 . 109 ILE H H 7.86 0.00 1 670 . 109 ILE HA H 4.03 0.00 1 671 . 109 ILE HB H 1.72 0.00 1 672 . 109 ILE HG13 H 1.48 0.00 1 673 . 109 ILE HG2 H 0.86 0.00 1 674 . 109 ILE HD1 H 0.70 0.00 1 675 . 109 ILE CA C 62.77 0.00 1 676 . 109 ILE CB C 39.46 0.00 1 677 . 109 ILE CG2 C 18.74 0.00 1 678 . 109 ILE CD1 C 14.05 0.00 1 679 . 109 ILE N N 119.60 0.00 1 680 . 110 LEU H H 7.67 0.00 1 681 . 110 LEU HA H 4.98 0.00 1 682 . 110 LEU HB2 H 1.29 0.00 1 683 . 110 LEU HB3 H 1.78 0.00 1 684 . 110 LEU HG H 1.59 0.00 1 685 . 110 LEU HD1 H 0.87 0.00 1 686 . 110 LEU HD2 H 0.79 0.00 1 687 . 110 LEU CA C 53.57 0.00 1 688 . 110 LEU CB C 42.76 0.00 1 689 . 110 LEU CD2 C 23.90 0.00 1 690 . 110 LEU N N 120.13 0.00 1 691 . 111 GLY H H 8.46 0.00 1 692 . 111 GLY HA2 H 3.58 0.00 1 693 . 111 GLY HA3 H 4.48 0.00 1 694 . 111 GLY CA C 43.70 0.00 1 695 . 111 GLY N N 110.83 0.00 1 696 . 112 ARG H H 9.04 0.00 1 697 . 112 ARG HA H 4.26 0.00 1 698 . 112 ARG HB2 H 1.78 0.00 1 699 . 112 ARG HB3 H 1.85 0.00 1 700 . 112 ARG HD3 H 3.19 0.00 1 701 . 112 ARG CA C 55.87 0.00 1 702 . 112 ARG CB C 30.77 0.00 1 703 . 112 ARG CD C 43.17 0.00 1 704 . 112 ARG N N 125.00 0.00 1 705 . 113 SER H H 8.53 0.00 1 706 . 113 SER HA H 5.08 0.00 1 707 . 113 SER HB2 H 3.65 0.00 1 708 . 113 SER HB3 H 3.76 0.00 1 709 . 113 SER CA C 57.11 0.00 1 710 . 113 SER CB C 64.64 0.00 1 711 . 113 SER N N 117.25 0.00 1 712 . 114 ASN H H 9.14 0.00 1 713 . 114 ASN HA H 4.95 0.00 1 714 . 114 ASN HB2 H 2.75 0.00 1 715 . 114 ASN HB3 H 3.41 0.00 1 716 . 114 ASN CA C 52.47 0.00 1 717 . 114 ASN CB C 38.76 0.00 1 718 . 114 ASN N N 121.02 0.00 1 719 . 115 LEU H H 9.05 0.00 1 720 . 115 LEU HA H 4.60 0.00 1 721 . 115 LEU HD1 H 0.79 0.00 1 722 . 115 LEU CA C 52.51 0.00 1 723 . 115 LEU CB C 38.92 0.00 1 724 . 115 LEU N N 125.00 0.00 1 725 . 116 LYS H H 8.09 0.00 1 726 . 116 LYS HA H 3.83 0.00 1 727 . 116 LYS CA C 53.80 0.00 1 728 . 116 LYS CB C 32.48 0.00 1 729 . 116 LYS N N 124.12 0.00 1 730 . 117 PHE H H 8.88 0.00 1 731 . 117 PHE HA H 4.68 0.00 1 732 . 117 PHE CA C 62.57 0.00 1 733 . 117 PHE CB C 38.49 0.00 1 734 . 117 PHE N N 115.92 0.00 1 735 . 118 ALA H H 7.33 0.00 1 736 . 118 ALA HA H 3.98 0.00 1 737 . 118 ALA HB H 1.37 0.00 1 738 . 118 ALA CA C 53.87 0.00 1 739 . 118 ALA CB C 20.15 0.00 1 740 . 118 ALA N N 120.13 0.00 1 741 . 119 GLY H H 9.82 0.00 1 742 . 119 GLY HA2 H 3.56 0.00 1 743 . 119 GLY HA3 H 4.40 0.00 1 744 . 119 GLY CA C 44.64 0.00 1 745 . 119 GLY N N 111.70 0.00 1 746 . 120 MET H H 7.95 0.00 1 747 . 120 MET HA H 4.82 0.00 1 748 . 120 MET HB2 H 2.23 0.00 1 749 . 120 MET HB3 H 2.36 0.00 1 750 . 120 MET HG3 H 2.68 0.00 1 751 . 120 MET HE H 2.21 0.00 1 752 . 120 MET CA C 54.52 0.00 1 753 . 120 MET CB C 34.76 0.00 1 754 . 120 MET CG C 32.03 0.00 1 755 . 120 MET CE C 17.31 0.00 1 756 . 120 MET N N 122.57 0.00 1 757 . 121 PRO HA H 4.92 0.00 1 758 . 121 PRO HB2 H 2.01 0.00 1 759 . 121 PRO HB3 H 2.35 0.00 1 760 . 121 PRO HG2 H 2.02 0.00 1 761 . 121 PRO HG3 H 2.32 0.00 1 762 . 121 PRO HD2 H 3.87 0.00 1 763 . 121 PRO HD3 H 4.35 0.00 1 764 . 121 PRO CA C 63.23 0.00 1 765 . 121 PRO CB C 31.70 0.00 1 766 . 121 PRO CG C 28.17 0.00 1 767 . 121 PRO N N 31.27 0.00 1 768 . 122 ILE H H 9.21 0.00 1 769 . 122 ILE HA H 5.14 0.00 1 770 . 122 ILE HB H 1.63 0.00 1 771 . 122 ILE HG13 H 1.44 0.00 1 772 . 122 ILE HG2 H 0.79 0.00 1 773 . 122 ILE HD1 H 0.79 0.00 1 774 . 122 ILE CA C 58.99 0.00 1 775 . 122 ILE CB C 43.70 0.00 1 776 . 122 ILE CG2 C 18.70 0.00 1 777 . 122 ILE CD1 C 16.44 0.00 1 778 . 122 ILE N N 119.03 0.00 1 779 . 123 THR H H 9.23 0.00 1 780 . 123 THR HA H 4.98 0.00 1 781 . 123 THR HB H 3.89 0.00 1 782 . 123 THR HG2 H 1.07 0.00 1 783 . 123 THR CA C 62.05 0.00 1 784 . 123 THR CB C 69.11 0.00 1 785 . 123 THR CG2 C 21.98 0.00 1 786 . 123 THR N N 116.81 0.00 1 787 . 124 LEU H H 9.60 0.00 1 788 . 124 LEU HA H 5.32 0.00 1 789 . 124 LEU HB2 H 1.28 0.00 1 790 . 124 LEU HB3 H 2.04 0.00 1 791 . 124 LEU HG H 1.44 0.00 1 792 . 124 LEU HD1 H 0.79 0.00 1 793 . 124 LEU HD2 H 0.70 0.00 1 794 . 124 LEU CA C 52.88 0.00 1 795 . 124 LEU CB C 44.20 0.00 1 796 . 124 LEU CD1 C 23.95 0.00 1 797 . 124 LEU CD2 C 22.28 0.00 1 798 . 124 LEU N N 132.98 0.00 1 799 . 125 THR H H 9.38 0.00 1 800 . 125 THR HA H 5.19 0.00 1 801 . 125 THR HB H 3.86 0.00 1 802 . 125 THR HG2 H 1.03 0.00 1 803 . 125 THR CA C 62.05 0.00 1 804 . 125 THR CB C 69.30 0.00 1 805 . 125 THR CG2 C 21.52 0.00 1 806 . 125 THR N N 123.90 0.00 1 807 . 126 VAL H H 9.42 0.00 1 808 . 126 VAL HA H 4.29 0.00 1 809 . 126 VAL HB H 2.04 0.00 1 810 . 126 VAL HG1 H 0.88 0.00 1 811 . 126 VAL HG2 H 0.64 0.00 1 812 . 126 VAL CA C 61.58 0.00 1 813 . 126 VAL CB C 33.23 0.00 1 814 . 126 VAL CG1 C 19.93 0.00 1 815 . 126 VAL CG2 C 21.81 0.00 1 816 . 126 VAL N N 129.21 0.00 1 817 . 127 SER H H 8.43 0.00 1 818 . 127 SER HA H 5.34 0.00 1 819 . 127 SER HB2 H 3.61 0.00 1 820 . 127 SER HB3 H 4.38 0.00 1 821 . 127 SER CA C 56.17 0.00 1 822 . 127 SER CB C 68.17 0.00 1 823 . 127 SER N N 122.79 0.00 1 824 . 128 THR H H 7.80 0.00 1 825 . 128 THR HA H 3.86 0.00 1 826 . 128 THR HB H 4.25 0.00 1 827 . 128 THR HG2 H 1.30 0.00 1 828 . 128 THR CA C 63.94 0.00 1 829 . 128 THR CB C 68.63 0.00 1 830 . 128 THR CG2 C 25.09 0.00 1 831 . 128 THR N N 132.31 0.00 1 832 . 129 SER H H 7.96 0.00 1 833 . 129 SER HA H 4.43 0.00 1 834 . 129 SER HB3 H 3.77 0.00 1 835 . 129 SER CA C 60.41 0.00 1 836 . 129 SER CB C 63.77 0.00 1 837 . 129 SER N N 113.27 0.00 1 838 . 130 SER H H 7.59 0.00 1 839 . 130 SER HA H 4.89 0.00 1 840 . 130 SER HB3 H 3.75 0.00 1 841 . 130 SER CA C 57.63 0.00 1 842 . 130 SER CB C 65.27 0.00 1 843 . 130 SER N N 115.26 0.00 1 844 . 131 LEU H H 8.49 0.00 1 845 . 131 LEU HA H 4.92 0.00 1 846 . 131 LEU HB2 H 1.20 0.00 1 847 . 131 LEU HB3 H 1.49 0.00 1 848 . 131 LEU HG H 1.49 0.00 1 849 . 131 LEU HD1 H 0.51 0.00 1 850 . 131 LEU HD2 H 0.33 0.00 1 851 . 131 LEU CA C 54.52 0.00 1 852 . 131 LEU CB C 41.34 0.00 1 853 . 131 LEU CG C 27.93 0.00 1 854 . 131 LEU CD1 C 25.88 0.00 1 855 . 131 LEU CD2 C 24.69 0.00 1 856 . 131 LEU N N 119.03 0.00 1 857 . 132 ASN H H 8.66 0.00 1 858 . 132 ASN HA H 5.07 0.00 1 859 . 132 ASN HB3 H 2.56 0.00 1 860 . 132 ASN CA C 52.88 0.00 1 861 . 132 ASN CB C 42.76 0.00 1 862 . 132 ASN N N 121.90 0.00 1 863 . 133 LEU H H 8.70 0.00 1 864 . 133 LEU HA H 4.94 0.00 1 865 . 133 LEU HB3 H 1.62 0.00 1 866 . 133 LEU HG H 1.49 0.00 1 867 . 133 LEU HD1 H 0.79 0.00 1 868 . 133 LEU HD2 H 0.63 0.00 1 869 . 133 LEU CA C 53.58 0.00 1 870 . 133 LEU CB C 42.24 0.00 1 871 . 133 LEU N N 126.56 0.00 1 872 . 134 MET H H 8.35 0.00 1 873 . 134 MET HA H 4.92 0.00 1 874 . 134 MET HB2 H 1.84 0.00 1 875 . 134 MET HB3 H 2.01 0.00 1 876 . 134 MET HG2 H 2.32 0.00 1 877 . 134 MET HG3 H 2.50 0.00 1 878 . 134 MET HE H 2.08 0.00 1 879 . 134 MET CA C 53.48 0.00 1 880 . 134 MET CB C 36.40 0.00 1 881 . 134 MET CG C 31.23 0.00 1 882 . 134 MET CE C 17.60 0.00 1 883 . 134 MET N N 123.45 0.00 1 884 . 135 ALA H H 8.81 0.00 1 885 . 135 ALA HA H 4.41 0.00 1 886 . 135 ALA HB H 1.61 0.00 1 887 . 135 ALA CA C 53.11 0.00 1 888 . 135 ALA CB C 20.11 0.00 1 889 . 135 ALA N N 127.88 0.00 1 890 . 136 ALA H H 8.39 0.00 1 891 . 136 ALA HA H 4.14 0.00 1 892 . 136 ALA HB H 1.33 0.00 1 893 . 136 ALA CA C 54.45 0.00 1 894 . 136 ALA CB C 18.55 0.00 1 895 . 136 ALA N N 125.23 0.00 1 896 . 137 ASP H H 8.28 0.00 1 897 . 137 ASP HA H 4.51 0.00 1 898 . 137 ASP HB2 H 2.73 0.00 1 899 . 137 ASP HB3 H 2.87 0.00 1 900 . 137 ASP CA C 54.74 0.00 1 901 . 137 ASP CB C 40.15 0.00 1 902 . 137 ASP N N 114.59 0.00 1 903 . 139 LYS H H 8.02 0.00 1 904 . 139 LYS HA H 4.18 0.00 1 905 . 139 LYS HB2 H 1.73 0.00 1 906 . 139 LYS HB3 H 1.87 0.00 1 907 . 139 LYS HG3 H 1.60 0.00 1 908 . 139 LYS HE3 H 3.19 0.00 1 909 . 139 LYS CA C 57.30 0.00 1 910 . 139 LYS CB C 31.70 0.00 1 911 . 139 LYS N N 117.47 0.00 1 912 . 140 GLN H H 7.40 0.00 1 913 . 140 GLN HA H 4.36 0.00 1 914 . 140 GLN HB2 H 1.85 0.00 1 915 . 140 GLN HB3 H 1.94 0.00 1 916 . 140 GLN HG2 H 2.07 0.00 1 917 . 140 GLN HG3 H 2.12 0.00 1 918 . 140 GLN CA C 54.76 0.00 1 919 . 140 GLN CB C 30.77 0.00 1 920 . 140 GLN CG C 33.11 0.00 1 921 . 140 GLN N N 117.95 0.00 1 922 . 141 ILE H H 8.65 0.00 1 923 . 141 ILE HA H 4.13 0.00 1 924 . 141 ILE HB H 1.77 0.00 1 925 . 141 ILE HG12 H 1.11 0.00 1 926 . 141 ILE HG13 H 1.49 0.00 1 927 . 141 ILE HG2 H 0.62 0.00 1 928 . 141 ILE HD1 H 0.79 0.00 1 929 . 141 ILE CA C 60.88 0.00 1 930 . 141 ILE CB C 37.81 0.00 1 931 . 141 ILE CG1 C 27.96 0.00 1 932 . 141 ILE CG2 C 17.13 0.00 1 933 . 141 ILE CD1 C 12.55 0.00 1 934 . 141 ILE N N 126.78 0.00 1 935 . 142 ILE H H 8.34 0.00 1 936 . 142 ILE HA H 3.50 0.00 1 937 . 142 ILE HB H 1.12 0.00 1 938 . 142 ILE HG12 H 0.42 0.00 1 939 . 142 ILE HG13 H 0.80 0.00 1 940 . 142 ILE HG2 H 0.07 0.00 1 941 . 142 ILE HD1 H 0.15 0.00 1 942 . 142 ILE CA C 62.05 0.00 1 943 . 142 ILE CB C 37.58 0.00 1 944 . 142 ILE CG1 C 27.70 0.00 1 945 . 142 ILE CG2 C 16.18 0.00 1 946 . 142 ILE CD1 C 12.64 0.00 1 947 . 142 ILE N N 128.99 0.00 1 948 . 143 ALA H H 7.43 0.00 1 949 . 143 ALA HA H 4.04 0.00 1 950 . 143 ALA HB H 0.64 0.00 1 951 . 143 ALA CA C 52.17 0.00 1 952 . 143 ALA CB C 21.31 0.00 1 953 . 143 ALA N N 118.14 0.00 1 954 . 144 ASN H H 8.13 0.00 1 955 . 144 ASN HA H 4.99 0.00 1 956 . 144 ASN HB2 H 2.29 0.00 1 957 . 144 ASN HB3 H 2.29 0.00 1 958 . 144 ASN CA C 52.97 0.00 1 959 . 144 ASN CB C 40.64 0.00 1 960 . 144 ASN N N 119.47 0.00 1 961 . 145 HIS H H 7.99 0.00 1 962 . 145 HIS CA C 59.60 0.00 1 963 . 145 HIS CB C 31.70 0.00 1 964 . 145 HIS N N 124.90 0.00 1 965 . 147 MET CA C 57.59 0.00 1 966 . 148 GLN H H 9.61 0.00 1 967 . 148 GLN HA H 4.29 0.00 1 968 . 148 GLN HB2 H 2.12 0.00 1 969 . 148 GLN HB3 H 2.22 0.00 1 970 . 148 GLN HG3 H 2.46 0.00 1 971 . 148 GLN CA C 57.82 0.00 1 972 . 148 GLN CB C 27.90 0.00 1 973 . 148 GLN CG C 33.58 0.00 1 974 . 148 GLN N N 115.92 0.00 1 975 . 149 SER H H 8.25 0.00 1 976 . 149 SER HA H 4.70 0.00 1 977 . 149 SER CA C 58.31 0.00 1 978 . 149 SER CB C 64.88 0.00 1 979 . 149 SER N N 114.59 0.00 1 980 . 150 ILE H H 7.56 0.00 1 981 . 150 ILE HA H 5.08 0.00 1 982 . 150 ILE HB H 2.36 0.00 1 983 . 150 ILE HG13 H 1.94 0.00 1 984 . 150 ILE HG2 H 1.03 0.00 1 985 . 150 ILE HD1 H 0.84 0.00 1 986 . 150 ILE CA C 60.60 0.00 1 987 . 150 ILE CB C 37.58 0.00 1 988 . 150 ILE CG2 C 16.64 0.00 1 989 . 150 ILE CD1 C 14.05 0.00 1 990 . 150 ILE N N 124.34 0.00 1 991 . 151 SER H H 8.53 0.00 1 992 . 151 SER N N 119.14 0.00 1 993 . 152 PHE H H 7.34 0.00 1 994 . 152 PHE HD1 H 7.03 0.00 3 995 . 152 PHE HE1 H 7.22 0.00 3 996 . 154 SER H H 9.14 0.00 1 997 . 154 SER HA H 4.57 0.00 1 998 . 154 SER HB2 H 3.54 0.00 1 999 . 154 SER HB3 H 3.82 0.00 1 1000 . 154 SER CA C 57.03 0.00 1 1001 . 154 SER CB C 65.82 0.00 1 1002 . 154 SER N N 113.27 0.00 1 1003 . 155 GLY H H 8.32 0.00 1 1004 . 155 GLY HA3 H 3.80 0.00 1 1005 . 155 GLY CA C 44.21 0.00 1 1006 . 155 GLY N N 109.93 0.00 1 1007 . 156 GLY H H 8.38 0.00 1 1008 . 156 GLY HA3 H 3.86 0.00 1 1009 . 156 GLY CA C 44.94 0.00 1 1010 . 156 GLY N N 105.96 0.00 1 1011 . 157 ASP H H 7.62 0.00 1 1012 . 157 ASP HA H 4.71 0.00 1 1013 . 157 ASP HB2 H 2.65 0.00 1 1014 . 157 ASP HB3 H 2.75 0.00 1 1015 . 157 ASP CA C 52.84 0.00 1 1016 . 157 ASP CB C 38.99 0.00 1 1017 . 157 ASP N N 121.02 0.00 1 1018 . 158 PRO HA H 4.28 0.00 1 1019 . 158 PRO HD2 H 3.72 0.00 1 1020 . 158 PRO HD3 H 3.88 0.00 1 1021 . 158 PRO CA C 65.85 0.00 1 1022 . 158 PRO CB C 31.40 0.00 1 1023 . 159 ASP H H 8.26 0.00 1 1024 . 159 ASP HA H 4.72 0.00 1 1025 . 159 ASP HB2 H 2.75 0.00 1 1026 . 159 ASP HB3 H 2.79 0.00 1 1027 . 159 ASP CA C 54.99 0.00 1 1028 . 159 ASP CB C 40.60 0.00 1 1029 . 159 ASP N N 113.05 0.00 1 1030 . 160 THR H H 8.01 0.00 1 1031 . 160 THR HA H 4.70 0.00 1 1032 . 160 THR HB H 4.71 0.00 1 1033 . 160 THR HG2 H 1.05 0.00 1 1034 . 160 THR CA C 59.70 0.00 1 1035 . 160 THR CB C 68.41 0.00 1 1036 . 160 THR CG2 C 22.78 0.00 1 1037 . 160 THR N N 113.27 0.00 1 1038 . 161 ALA H H 7.60 0.00 1 1039 . 161 ALA HA H 3.90 0.00 1 1040 . 161 ALA HB H 1.47 0.00 1 1041 . 161 ALA CA C 55.73 0.00 1 1042 . 161 ALA CB C 18.79 0.00 1 1043 . 161 ALA N N 124.34 0.00 1 1044 . 163 TYR HA H 5.53 0.00 1 1045 . 163 TYR HD1 H 6.92 0.00 3 1046 . 163 TYR HE1 H 6.76 0.00 3 1047 . 163 TYR CD1 C 132.30 0.00 3 1048 . 163 TYR CE1 C 119.77 0.00 3 1049 . 164 VAL H H 8.96 0.00 1 1050 . 164 VAL HA H 4.58 0.00 1 1051 . 164 VAL HB H 1.73 0.00 1 1052 . 164 VAL HG1 H 0.93 0.00 1 1053 . 164 VAL HG2 H 0.80 0.00 1 1054 . 164 VAL CA C 60.64 0.00 1 1055 . 164 VAL CB C 35.23 0.00 1 1056 . 164 VAL N N 119.91 0.00 1 1057 . 165 ALA H H 9.04 0.00 1 1058 . 165 ALA HA H 5.93 0.00 1 1059 . 165 ALA HB H 1.13 0.00 1 1060 . 165 ALA CA C 49.35 0.00 1 1061 . 165 ALA CB C 23.86 0.00 1 1062 . 165 ALA N N 127.88 0.00 1 1063 . 166 TYR H H 8.69 0.00 1 1064 . 166 TYR HA H 5.42 0.00 1 1065 . 166 TYR HB2 H 2.70 0.00 1 1066 . 166 TYR HB3 H 2.78 0.00 1 1067 . 166 TYR HD1 H 6.63 0.00 3 1068 . 166 TYR HE1 H 6.40 0.00 3 1069 . 166 TYR CA C 56.07 0.00 1 1070 . 166 TYR CB C 41.11 0.00 1 1071 . 166 TYR CD1 C 132.30 0.00 3 1072 . 166 TYR CE1 C 117.27 0.00 3 1073 . 166 TYR N N 116.14 0.00 1 1074 . 167 VAL H H 8.74 0.00 1 1075 . 167 VAL HA H 5.06 0.00 1 1076 . 167 VAL HB H 2.11 0.00 1 1077 . 167 VAL HG1 H 0.87 0.00 1 1078 . 167 VAL CA C 61.10 0.00 1 1079 . 167 VAL CB C 32.20 0.00 1 1080 . 167 VAL CG1 C 21.34 0.00 1 1081 . 167 VAL N N 122.35 0.00 1 1082 . 168 ALA H H 8.74 0.00 1 1083 . 168 ALA HA H 5.49 0.00 1 1084 . 168 ALA HB H 1.07 0.00 1 1085 . 168 ALA CA C 49.82 0.00 1 1086 . 168 ALA CB C 23.66 0.00 1 1087 . 168 ALA N N 128.10 0.00 1 1088 . 170 ASP HA H 5.15 0.00 1 1089 . 170 ASP HB2 H 2.92 0.00 1 1090 . 170 ASP HB3 H 3.32 0.00 1 1091 . 170 ASP CA C 53.35 0.00 1 1092 . 170 ASP CB C 42.99 0.00 1 1093 . 171 PRO HA H 4.50 0.00 1 1094 . 171 PRO HB3 H 2.51 0.00 1 1095 . 172 VAL H H 8.48 0.00 1 1096 . 172 VAL HA H 4.10 0.00 1 1097 . 172 VAL HB H 2.18 0.00 1 1098 . 172 VAL HG1 H 1.01 0.00 1 1099 . 172 VAL HG2 H 0.96 0.00 1 1100 . 172 VAL CA C 63.94 0.00 1 1101 . 172 VAL CB C 32.87 0.00 1 1102 . 172 VAL CG1 C 21.50 0.00 1 1103 . 172 VAL CG2 C 21.18 0.00 1 1104 . 172 VAL N N 116.81 0.00 1 1105 . 176 ALA H H 9.14 0.00 1 1106 . 176 ALA HA H 4.96 0.00 1 1107 . 176 ALA HB H 0.99 0.00 1 1108 . 176 ALA CA C 50.99 0.00 1 1109 . 176 ALA CB C 22.39 0.00 1 1110 . 176 ALA N N 121.07 0.00 1 1111 . 177 CYS H H 9.14 0.00 1 1112 . 177 CYS HA H 5.04 0.00 1 1113 . 177 CYS CA C 56.01 0.00 1 1114 . 177 CYS CB C 27.23 0.00 1 1115 . 177 CYS N N 121.02 0.00 1 1116 . 178 HIS H H 9.29 0.00 1 1117 . 178 HIS HA H 4.41 0.00 1 1118 . 178 HIS CA C 55.73 0.00 1 1119 . 178 HIS N N 130.99 0.00 1 1120 . 179 ILE H H 7.85 0.00 1 1121 . 179 ILE HA H 4.92 0.00 1 1122 . 179 ILE HB H 1.59 0.00 1 1123 . 179 ILE HD1 H 0.66 0.00 1 1124 . 179 ILE CA C 59.75 0.00 1 1125 . 179 ILE CB C 38.99 0.00 1 1126 . 179 ILE CD1 C 14.75 0.00 1 1127 . 179 ILE N N 119.91 0.00 1 1128 . 180 LEU H H 9.52 0.00 1 1129 . 180 LEU HA H 5.31 0.00 1 1130 . 180 LEU HB2 H 1.30 0.00 1 1131 . 180 LEU HB3 H 1.95 0.00 1 1132 . 180 LEU HD1 H 1.19 0.00 1 1133 . 180 LEU HD2 H 1.00 0.00 1 1134 . 180 LEU CA C 52.41 0.00 1 1135 . 180 LEU CB C 43.27 0.00 1 1136 . 180 LEU CD1 C 24.40 0.00 1 1137 . 180 LEU CD2 C 26.28 0.00 1 1138 . 180 LEU N N 125.89 0.00 1 1139 . 181 GLU H H 9.58 0.00 1 1140 . 181 GLU HA H 4.46 0.00 1 1141 . 181 GLU CA C 55.05 0.00 1 1142 . 181 GLU CB C 33.08 0.00 1 1143 . 181 GLU CG C 36.98 0.00 1 1144 . 181 GLU N N 124.78 0.00 1 1145 . 182 CYS H H 9.02 0.00 1 1146 . 182 CYS HA H 4.90 0.00 1 1147 . 182 CYS CA C 55.84 0.00 1 1148 . 182 CYS CB C 28.69 0.00 1 1149 . 182 CYS N N 127.31 0.00 1 1150 . 183 PRO HA H 4.53 0.00 1 1151 . 183 PRO HB2 H 2.00 0.00 1 1152 . 183 PRO HB3 H 2.44 0.00 1 1153 . 183 PRO CA C 62.76 0.00 1 1154 . 183 PRO CB C 32.40 0.00 1 1155 . 184 GLU H H 8.82 0.00 1 1156 . 184 GLU HA H 3.90 0.00 1 1157 . 184 GLU HB3 H 2.07 0.00 1 1158 . 184 GLU HG3 H 2.30 0.00 1 1159 . 184 GLU CA C 58.22 0.00 1 1160 . 184 GLU CB C 28.91 0.00 1 1161 . 184 GLU CG C 36.17 0.00 1 1162 . 184 GLU N N 120.07 0.00 1 1163 . 185 GLY H H 8.79 0.00 1 1164 . 185 GLY HA2 H 3.89 0.00 1 1165 . 185 GLY HA3 H 4.24 0.00 1 1166 . 185 GLY CA C 45.58 0.00 1 1167 . 185 GLY N N 111.27 0.00 1 1168 . 186 LEU H H 7.87 0.00 1 1169 . 186 LEU HA H 4.47 0.00 1 1170 . 186 LEU HB2 H 1.49 0.00 1 1171 . 186 LEU HB3 H 1.65 0.00 1 1172 . 186 LEU HG H 1.81 0.00 1 1173 . 186 LEU HD1 H 1.12 0.00 1 1174 . 186 LEU HD2 H 1.05 0.00 1 1175 . 186 LEU CA C 55.70 0.00 1 1176 . 186 LEU CB C 43.93 0.00 1 1177 . 186 LEU CG C 27.70 0.00 1 1178 . 186 LEU CD1 C 24.63 0.00 1 1179 . 186 LEU CD2 C 24.81 0.00 1 1180 . 186 LEU N N 120.70 0.00 1 1181 . 187 ALA H H 8.70 0.00 1 1182 . 187 ALA HA H 3.88 0.00 1 1183 . 187 ALA HB H 1.35 0.00 1 1184 . 187 ALA CA C 56.17 0.00 1 1185 . 187 ALA CB C 18.28 0.00 1 1186 . 187 ALA N N 123.40 0.00 1 1187 . 188 GLN H H 8.16 0.00 1 1188 . 188 GLN HA H 4.00 0.00 1 1189 . 188 GLN HB3 H 2.14 0.00 1 1190 . 188 GLN HG3 H 2.49 0.00 1 1191 . 188 GLN CA C 58.80 0.00 1 1192 . 188 GLN CB C 27.90 0.00 1 1193 . 188 GLN CG C 34.00 0.00 1 1194 . 188 GLN N N 113.49 0.00 1 1195 . 189 ASP H H 7.35 0.00 1 1196 . 189 ASP HA H 4.36 0.00 1 1197 . 189 ASP HB2 H 2.80 0.00 1 1198 . 189 ASP HB3 H 2.90 0.00 1 1199 . 189 ASP CA C 56.49 0.00 1 1200 . 189 ASP CB C 37.83 0.00 1 1201 . 189 ASP N N 122.35 0.00 1 1202 . 190 VAL H H 8.18 0.00 1 1203 . 190 VAL HA H 3.13 0.00 1 1204 . 190 VAL HB H 1.99 0.00 1 1205 . 190 VAL HG1 H 0.55 0.00 1 1206 . 190 VAL HG2 H 0.11 0.00 1 1207 . 190 VAL CA C 67.40 0.00 1 1208 . 190 VAL CB C 30.75 0.00 1 1209 . 190 VAL CG1 C 21.64 0.00 1 1210 . 190 VAL CG2 C 20.87 0.00 1 1211 . 190 VAL N N 122.12 0.00 1 1212 . 191 ILE H H 8.29 0.00 1 1213 . 191 ILE HA H 3.88 0.00 1 1214 . 191 ILE HB H 1.79 0.00 1 1215 . 191 ILE N N 117.92 0.00 1 1216 . 192 SER H H 8.02 0.00 1 1217 . 192 SER HA H 4.41 0.00 1 1218 . 192 SER N N 117.47 0.00 1 1219 . 193 THR H H 8.39 0.00 1 1220 . 193 THR N N 122.51 0.00 1 1221 . 194 ILE HG2 H 0.13 0.00 1 1222 . 194 ILE HD1 H 0.51 0.00 1 1223 . 194 ILE CD1 C 13.34 0.00 1 1224 . 195 GLY H H 8.25 0.00 1 1225 . 195 GLY CA C 44.73 0.00 1 1226 . 195 GLY N N 105.18 0.00 1 1227 . 196 GLN H H 8.05 0.00 1 1228 . 196 GLN CB C 27.21 0.00 1 1229 . 196 GLN N N 123.97 0.00 1 1230 . 197 ALA H H 8.08 0.00 1 1231 . 197 ALA HA H 3.52 0.00 1 1232 . 197 ALA HB H 1.02 0.00 1 1233 . 197 ALA CA C 55.08 0.00 1 1234 . 197 ALA CB C 18.03 0.00 1 1235 . 197 ALA N N 120.80 0.00 1 1236 . 198 PHE H H 8.62 0.00 1 1237 . 198 PHE N N 115.00 0.00 1 1238 . 199 GLU H H 8.30 0.00 1 1239 . 199 GLU HA H 4.11 0.00 1 1240 . 199 GLU CA C 59.47 0.00 1 1241 . 199 GLU CB C 29.58 0.00 1 1242 . 199 GLU N N 119.69 0.00 1 1243 . 200 LEU H H 8.40 0.00 1 1244 . 200 LEU HA H 4.10 0.00 1 1245 . 200 LEU HB3 H 1.70 0.00 1 1246 . 200 LEU HD1 H 0.85 0.00 1 1247 . 200 LEU HD2 H 0.68 0.00 1 1248 . 200 LEU N N 117.92 0.00 1 1249 . 201 ARG CA C 56.01 0.00 1 1250 . 201 ARG CB C 27.94 0.00 1 1251 . 202 PHE H H 7.87 0.00 1 1252 . 202 PHE HA H 5.52 0.00 1 1253 . 202 PHE CA C 57.73 0.00 1 1254 . 202 PHE CB C 41.81 0.00 1 1255 . 202 PHE N N 117.67 0.00 1 1256 . 203 LYS H H 7.94 0.00 1 1257 . 203 LYS HA H 4.17 0.00 1 1258 . 203 LYS HB2 H 1.71 0.00 1 1259 . 203 LYS HB3 H 1.90 0.00 1 1260 . 203 LYS HG3 H 1.47 0.00 1 1261 . 203 LYS HD3 H 1.58 0.00 1 1262 . 203 LYS HE3 H 2.94 0.00 1 1263 . 203 LYS CA C 57.16 0.00 1 1264 . 203 LYS CB C 31.94 0.00 1 1265 . 203 LYS CG C 25.01 0.00 1 1266 . 203 LYS CD C 41.49 0.00 1 1267 . 203 LYS N N 119.25 0.00 1 1268 . 204 GLN H H 7.94 0.00 1 1269 . 204 GLN HA H 4.20 0.00 1 1270 . 204 GLN HB3 H 1.98 0.00 1 1271 . 204 GLN HG2 H 2.10 0.00 1 1272 . 204 GLN HG3 H 2.26 0.00 1 1273 . 204 GLN CA C 56.41 0.00 1 1274 . 204 GLN CB C 29.58 0.00 1 1275 . 204 GLN CG C 33.81 0.00 1 1276 . 204 GLN N N 118.36 0.00 1 1277 . 205 TYR H H 7.86 0.00 1 1278 . 205 TYR HA H 4.61 0.00 1 1279 . 205 TYR HB2 H 2.92 0.00 1 1280 . 205 TYR HB3 H 3.15 0.00 1 1281 . 205 TYR HD1 H 7.16 0.00 3 1282 . 205 TYR HE1 H 6.80 0.00 3 1283 . 205 TYR CA C 58.05 0.00 1 1284 . 205 TYR CB C 38.52 0.00 1 1285 . 205 TYR CD1 C 133.13 0.00 3 1286 . 205 TYR CE1 C 118.10 0.00 3 1287 . 205 TYR N N 118.45 0.00 1 1288 . 206 LEU H H 7.87 0.00 1 1289 . 206 LEU HA H 4.34 0.00 1 1290 . 206 LEU HB3 H 1.61 0.00 1 1291 . 206 LEU HD1 H 0.82 0.00 1 1292 . 206 LEU HD2 H 0.86 0.00 1 1293 . 206 LEU CA C 55.19 0.00 1 1294 . 206 LEU CB C 42.16 0.00 1 1295 . 206 LEU CG C 24.61 0.00 1 1296 . 206 LEU CD1 C 23.45 0.00 1 1297 . 206 LEU CD2 C 25.37 0.00 1 1298 . 206 LEU N N 122.80 0.00 1 1299 . 207 ARG H H 7.69 0.00 1 1300 . 207 ARG HA H 4.17 0.00 1 1301 . 207 ARG HB2 H 1.71 0.00 1 1302 . 207 ARG HB3 H 1.85 0.00 1 1303 . 207 ARG HG3 H 1.58 0.00 1 1304 . 207 ARG HD3 H 3.16 0.00 1 1305 . 207 ARG CA C 56.96 0.00 1 1306 . 207 ARG CB C 31.15 0.00 1 1307 . 207 ARG N N 126.34 0.00 1 stop_ save_