data_15199 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the PDZ2 PDZ3 tandemdomain of PTP-BL ; _BMRB_accession_number 15199 _BMRB_flat_file_name bmr15199.str _Entry_type original _Submission_date 2007-03-30 _Accession_date 2007-03-30 _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 Fetzer 'Christan P.' . . 2 Sauvageau Janelle . . 3 Kock Gerd . . 4 Berghaus Carsten . . 5 Bangert Jan-A. . . 6 Heumann Rolf . . 7 Erdmann Kai . . 8 Stoll Raphael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 181 "13C chemical shifts" 505 "15N chemical shifts" 181 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'complete entry citation' 2008-01-29 update BMRB 'update the entry citation' 2007-08-17 update author 'update the entry citation' 2007-06-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Sequence-specific (1)H, (13)C, and (15)N backbone assignment of the 28 kDa PDZ2/PDZ3 tandem domain of the protein tyrosine phosphatase PTP-BL' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636852 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fetzer Christian P. . 2 Sauvageau Janelle . . 3 Kock Gerd . . 4 Berghaus Carsten . . 5 Bangert Jan-Amade . . 6 Dicks Markus . . 7 Heumann Rolf . . 8 Erdmann Kai S. . 9 Stoll Raphael . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 151 _Page_last 153 _Year 2007 _Details . loop_ _Keyword 'Backbone resonance assignments' PDZ2 PDZ3 'PDZ tandem domain' PTP-BL stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'pdz23 tandemdomain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tandemdomain $PDZ2_PDZ3_Tandemdomain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PDZ2_PDZ3_Tandemdomain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PDZ2/PDZ3_Tandemdomain _Molecular_mass 26416.7 _Mol_thiol_state unknown loop_ _Biological_function 'protein-protein interaction domain' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 252 _Mol_residue_sequence ; GSPGSASPPKPGDTFEVELA KTDGSLGISVTGGVNTSVRH GGIYVKAIIPKGAAESDGRI HKGDRVLAVNGVSLEGATHK QAVETLRNTGQVVHLLLEKG QVPTSRERDPAGPQSPPPDQ DAQRQAPEKVAKQTPHVKDY SFVTEDNTFEVKLFKNSSGL GFSFSREDNLIPEQINGSIV RVKKLFPGQPAAESGKIDVG DVILKVNGAPLKGLSQQDVI SALRGTAPEVSLLLCRPAPG VLPEIDTPGNSS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PRO 4 GLY 5 SER 6 ALA 7 SER 8 PRO 9 PRO 10 LYS 11 PRO 12 GLY 13 ASP 14 THR 15 PHE 16 GLU 17 VAL 18 GLU 19 LEU 20 ALA 21 LYS 22 THR 23 ASP 24 GLY 25 SER 26 LEU 27 GLY 28 ILE 29 SER 30 VAL 31 THR 32 GLY 33 GLY 34 VAL 35 ASN 36 THR 37 SER 38 VAL 39 ARG 40 HIS 41 GLY 42 GLY 43 ILE 44 TYR 45 VAL 46 LYS 47 ALA 48 ILE 49 ILE 50 PRO 51 LYS 52 GLY 53 ALA 54 ALA 55 GLU 56 SER 57 ASP 58 GLY 59 ARG 60 ILE 61 HIS 62 LYS 63 GLY 64 ASP 65 ARG 66 VAL 67 LEU 68 ALA 69 VAL 70 ASN 71 GLY 72 VAL 73 SER 74 LEU 75 GLU 76 GLY 77 ALA 78 THR 79 HIS 80 LYS 81 GLN 82 ALA 83 VAL 84 GLU 85 THR 86 LEU 87 ARG 88 ASN 89 THR 90 GLY 91 GLN 92 VAL 93 VAL 94 HIS 95 LEU 96 LEU 97 LEU 98 GLU 99 LYS 100 GLY 101 GLN 102 VAL 103 PRO 104 THR 105 SER 106 ARG 107 GLU 108 ARG 109 ASP 110 PRO 111 ALA 112 GLY 113 PRO 114 GLN 115 SER 116 PRO 117 PRO 118 PRO 119 ASP 120 GLN 121 ASP 122 ALA 123 GLN 124 ARG 125 GLN 126 ALA 127 PRO 128 GLU 129 LYS 130 VAL 131 ALA 132 LYS 133 GLN 134 THR 135 PRO 136 HIS 137 VAL 138 LYS 139 ASP 140 TYR 141 SER 142 PHE 143 VAL 144 THR 145 GLU 146 ASP 147 ASN 148 THR 149 PHE 150 GLU 151 VAL 152 LYS 153 LEU 154 PHE 155 LYS 156 ASN 157 SER 158 SER 159 GLY 160 LEU 161 GLY 162 PHE 163 SER 164 PHE 165 SER 166 ARG 167 GLU 168 ASP 169 ASN 170 LEU 171 ILE 172 PRO 173 GLU 174 GLN 175 ILE 176 ASN 177 GLY 178 SER 179 ILE 180 VAL 181 ARG 182 VAL 183 LYS 184 LYS 185 LEU 186 PHE 187 PRO 188 GLY 189 GLN 190 PRO 191 ALA 192 ALA 193 GLU 194 SER 195 GLY 196 LYS 197 ILE 198 ASP 199 VAL 200 GLY 201 ASP 202 VAL 203 ILE 204 LEU 205 LYS 206 VAL 207 ASN 208 GLY 209 ALA 210 PRO 211 LEU 212 LYS 213 GLY 214 LEU 215 SER 216 GLN 217 GLN 218 ASP 219 VAL 220 ILE 221 SER 222 ALA 223 LEU 224 ARG 225 GLY 226 THR 227 ALA 228 PRO 229 GLU 230 VAL 231 SER 232 LEU 233 LEU 234 LEU 235 CYS 236 ARG 237 PRO 238 ALA 239 PRO 240 GLY 241 VAL 242 LEU 243 PRO 244 GLU 245 ILE 246 ASP 247 THR 248 PRO 249 GLY 250 ASN 251 SER 252 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PDZ2_PDZ3_Tandemdomain 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 $PDZ2_PDZ3_Tandemdomain 'recombinant technology' . Escherichia coli . pGEX 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 $PDZ2_PDZ3_Tandemdomain 1 mM '[U-100% 13C; U-100% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' DTT 1 mM 'natural abundance' TSP 1 mM 'natural abundance' 'potassium phosphate' 1.4 mM 'natural abundance' 'sodium chloride' 137 mM 'natural abundance' 'potassium chloride' 2.7 mM 'natural abundance' 'sodium phosphat' 9 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 C 13 'methyl carbons' ppm 0 internal direct . . . 1 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 TSP N 15 'methyl protons' ppm 0 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name tandemdomain _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 11 PRO C C 177.539 0.04 1 2 11 11 PRO CA C 64.556 0.04 1 3 11 11 PRO CB C 32.006 0.04 1 4 12 12 GLY H H 8.955 0.02 1 5 12 12 GLY C C 174.101 0.04 1 6 12 12 GLY CA C 45.184 0.04 1 7 12 12 GLY N N 113.864 0.05 1 8 13 13 ASP H H 8.571 0.02 1 9 13 13 ASP C C 176.638 0.04 1 10 13 13 ASP CA C 54.613 0.04 1 11 13 13 ASP CB C 41.558 0.04 1 12 13 13 ASP N N 122.490 0.05 1 13 14 14 THR H H 8.481 0.02 1 14 14 14 THR C C 174.888 0.04 1 15 14 14 THR CA C 60.710 0.04 1 16 14 14 THR CB C 70.541 0.04 1 17 14 14 THR N N 113.729 0.05 1 18 15 15 PHE H H 9.366 0.02 1 19 15 15 PHE C C 171.384 0.04 1 20 15 15 PHE CA C 56.152 0.04 1 21 15 15 PHE CB C 40.455 0.04 1 22 15 15 PHE N N 120.719 0.05 1 23 16 16 GLU H H 8.594 0.02 1 24 16 16 GLU C C 176.105 0.04 1 25 16 16 GLU CA C 54.094 0.04 1 26 16 16 GLU CB C 33.400 0.04 1 27 16 16 GLU N N 119.622 0.05 1 28 17 17 VAL H H 8.632 0.02 1 29 17 17 VAL C C 173.168 0.04 1 30 17 17 VAL CA C 61.155 0.04 1 31 17 17 VAL CB C 36.681 0.04 1 32 17 17 VAL N N 120.333 0.05 1 33 18 18 GLU H H 7.877 0.02 1 34 18 18 GLU C C 174.673 0.04 1 35 18 18 GLU CA C 54.938 0.04 1 36 18 18 GLU CB C 31.011 0.04 1 37 18 18 GLU N N 126.632 0.05 1 38 19 19 LEU H H 8.923 0.02 1 39 19 19 LEU C C 173.914 0.04 1 40 19 19 LEU CA C 53.241 0.04 1 41 19 19 LEU CB C 46.049 0.04 1 42 19 19 LEU N N 127.001 0.05 1 43 20 20 ALA H H 8.508 0.02 1 44 20 20 ALA C C 177.394 0.04 1 45 20 20 ALA CA C 49.937 0.04 1 46 20 20 ALA CB C 19.665 0.04 1 47 20 20 ALA N N 127.077 0.05 1 48 21 21 LYS H H 8.520 0.02 1 49 21 21 LYS C C 177.134 0.04 1 50 21 21 LYS CA C 57.811 0.04 1 51 21 21 LYS CB C 34.615 0.04 1 52 21 21 LYS N N 121.078 0.05 1 53 22 22 THR H H 8.128 0.02 1 54 22 22 THR CA C 61.265 0.04 1 55 22 22 THR N N 114.561 0.05 1 56 23 23 ASP C C 176.482 0.04 1 57 23 23 ASP CA C 55.505 0.04 1 58 23 23 ASP CB C 39.917 0.04 1 59 24 24 GLY H H 8.772 0.02 1 60 24 24 GLY C C 174.207 0.04 1 61 24 24 GLY CA C 45.920 0.04 1 62 24 24 GLY N N 103.208 0.05 1 63 25 25 SER H H 8.056 0.02 1 64 25 25 SER CA C 56.310 0.04 1 65 25 25 SER N N 114.602 0.05 1 66 26 26 LEU C C 177.101 0.04 1 67 26 26 LEU CA C 55.626 0.04 1 68 26 26 LEU CB C 43.242 0.04 1 69 27 27 GLY H H 8.931 0.02 1 70 27 27 GLY C C 176.117 0.04 1 71 27 27 GLY CA C 46.649 0.04 1 72 27 27 GLY N N 106.407 0.05 1 73 28 28 ILE H H 7.647 0.02 1 74 28 28 ILE C C 174.028 0.04 1 75 28 28 ILE CA C 59.835 0.04 1 76 28 28 ILE CB C 42.716 0.04 1 77 28 28 ILE N N 115.529 0.05 1 78 29 29 SER H H 8.540 0.02 1 79 29 29 SER CA C 56.158 0.04 1 80 29 29 SER N N 119.779 0.05 1 81 30 30 VAL C C 174.556 0.04 1 82 30 30 VAL CA C 59.481 0.04 1 83 30 30 VAL CB C 35.098 0.04 1 84 31 31 THR H H 9.318 0.02 1 85 31 31 THR C C 171.584 0.04 1 86 31 31 THR CA C 59.627 0.04 1 87 31 31 THR CB C 70.194 0.04 1 88 31 31 THR N N 116.395 0.05 1 89 32 32 GLY H H 8.412 0.02 1 90 32 32 GLY CA C 44.664 0.04 1 91 32 32 GLY N N 112.627 0.05 1 92 33 33 GLY C C 176.403 0.04 1 93 33 33 GLY CA C 43.731 0.04 1 94 34 34 VAL H H 8.205 0.02 1 95 34 34 VAL C C 175.736 0.04 1 96 34 34 VAL CA C 64.103 0.04 1 97 34 34 VAL N N 117.524 0.05 1 98 35 35 ASN H H 8.870 0.02 1 99 35 35 ASN C C 174.812 0.04 1 100 35 35 ASN CA C 53.615 0.04 1 101 35 35 ASN CB C 37.810 0.04 1 102 35 35 ASN N N 118.429 0.05 1 103 36 36 THR H H 7.914 0.02 1 104 36 36 THR CA C 61.666 0.04 1 105 36 36 THR N N 112.312 0.05 1 106 40 40 HIS CA C 57.318 0.04 1 107 41 41 GLY CA C 46.662 0.04 1 108 42 42 GLY C C 170.382 0.04 1 109 42 42 GLY CA C 44.606 0.04 1 110 43 43 ILE H H 8.450 0.02 1 111 43 43 ILE C C 174.644 0.04 1 112 43 43 ILE CA C 57.033 0.04 1 113 43 43 ILE N N 119.975 0.05 1 114 44 44 TYR H H 9.014 0.02 1 115 44 44 TYR C C 176.014 0.04 1 116 44 44 TYR CA C 55.952 0.04 1 117 44 44 TYR CB C 42.421 0.04 1 118 44 44 TYR N N 123.864 0.05 1 119 45 45 VAL H H 9.323 0.02 1 120 45 45 VAL C C 175.906 0.04 1 121 45 45 VAL CA C 64.453 0.04 1 122 45 45 VAL CB C 31.478 0.04 1 123 45 45 VAL N N 121.100 0.05 1 124 46 46 LYS H H 9.610 0.02 1 125 46 46 LYS C C 174.726 0.04 1 126 46 46 LYS CA C 56.977 0.04 1 127 46 46 LYS CB C 34.310 0.04 1 128 46 46 LYS N N 135.172 0.05 1 129 47 47 ALA H H 7.567 0.02 1 130 47 47 ALA C C 174.379 0.04 1 131 47 47 ALA CA C 51.561 0.04 1 132 47 47 ALA N N 117.861 0.05 1 133 48 48 ILE H H 8.646 0.02 1 134 48 48 ILE C C 176.077 0.04 1 135 48 48 ILE CA C 57.834 0.04 1 136 48 48 ILE CB C 36.529 0.04 1 137 48 48 ILE N N 121.663 0.05 1 138 49 49 ILE H H 7.838 0.02 1 139 49 49 ILE CA C 58.748 0.04 1 140 49 49 ILE N N 130.238 0.05 1 141 50 50 PRO C C 177.334 0.04 1 142 50 50 PRO CA C 64.351 0.04 1 143 50 50 PRO CB C 32.087 0.04 1 144 51 51 LYS H H 9.423 0.02 1 145 51 51 LYS C C 176.316 0.04 1 146 51 51 LYS CA C 58.026 0.04 1 147 51 51 LYS CB C 29.420 0.04 1 148 51 51 LYS N N 118.357 0.05 1 149 52 52 GLY H H 7.877 0.02 1 150 52 52 GLY C C 174.487 0.04 1 151 52 52 GLY CA C 44.784 0.04 1 152 52 52 GLY N N 106.840 0.05 1 153 53 53 ALA H H 8.886 0.02 1 154 53 53 ALA C C 178.329 0.04 1 155 53 53 ALA CA C 55.292 0.04 1 156 53 53 ALA N N 121.777 0.05 1 157 54 54 ALA H H 7.830 0.02 1 158 54 54 ALA C C 180.957 0.04 1 159 54 54 ALA CA C 54.891 0.04 1 160 54 54 ALA CB C 18.523 0.04 1 161 54 54 ALA N N 119.548 0.05 1 162 55 55 GLU H H 9.357 0.02 1 163 55 55 GLU C C 178.002 0.04 1 164 55 55 GLU CA C 60.029 0.04 1 165 55 55 GLU CB C 29.603 0.04 1 166 55 55 GLU N N 125.098 0.05 1 167 56 56 SER H H 8.052 0.02 1 168 56 56 SER CA C 61.357 0.04 1 169 56 56 SER CB C 62.649 0.04 1 170 56 56 SER N N 113.999 0.05 1 171 57 57 ASP H H 7.755 0.02 1 172 57 57 ASP C C 177.694 0.04 1 173 57 57 ASP CA C 57.292 0.04 1 174 57 57 ASP CB C 44.211 0.04 1 175 57 57 ASP N N 120.897 0.05 1 176 58 58 GLY H H 7.507 0.02 1 177 58 58 GLY C C 174.905 0.04 1 178 58 58 GLY CA C 46.432 0.04 1 179 58 58 GLY N N 103.378 0.05 1 180 59 59 ARG H H 8.005 0.02 1 181 59 59 ARG C C 175.841 0.04 1 182 59 59 ARG CA C 58.145 0.04 1 183 59 59 ARG N N 118.460 0.05 1 184 60 60 ILE H H 8.433 0.02 1 185 60 60 ILE C C 173.631 0.04 1 186 60 60 ILE CA C 61.581 0.04 1 187 60 60 ILE N N 120.749 0.05 1 188 61 61 HIS H H 9.123 0.02 1 189 61 61 HIS CA C 54.978 0.04 1 190 61 61 HIS N N 124.194 0.05 1 191 62 62 LYS H H 8.725 0.02 1 192 62 62 LYS C C 177.070 0.04 1 193 62 62 LYS CA C 58.554 0.04 1 194 62 62 LYS CB C 32.458 0.04 1 195 62 62 LYS N N 121.440 0.05 1 196 63 63 GLY H H 9.171 0.02 1 197 63 63 GLY C C 174.314 0.04 1 198 63 63 GLY CA C 44.867 0.04 1 199 63 63 GLY N N 115.124 0.05 1 200 64 64 ASP H H 8.083 0.02 1 201 64 64 ASP C C 174.746 0.04 1 202 64 64 ASP CA C 56.028 0.04 1 203 64 64 ASP CB C 41.028 0.04 1 204 64 64 ASP N N 122.277 0.05 1 205 65 65 ARG H H 9.110 0.02 1 206 65 65 ARG C C 175.650 0.04 1 207 65 65 ARG CA C 54.779 0.04 1 208 65 65 ARG CB C 33.844 0.04 1 209 65 65 ARG N N 123.772 0.05 1 210 66 66 VAL H H 8.994 0.02 1 211 66 66 VAL C C 174.463 0.04 1 212 66 66 VAL CA C 62.350 0.04 1 213 66 66 VAL CB C 30.844 0.04 1 214 66 66 VAL N N 126.795 0.05 1 215 67 67 LEU H H 9.238 0.02 1 216 67 67 LEU C C 180.958 0.04 1 217 67 67 LEU CA C 56.038 0.04 1 218 67 67 LEU CB C 42.517 0.04 1 219 67 67 LEU N N 127.699 0.05 1 220 68 68 ALA H H 7.879 0.02 1 221 68 68 ALA C C 175.416 0.04 1 222 68 68 ALA CA C 52.271 0.04 1 223 68 68 ALA CB C 22.191 0.04 1 224 68 68 ALA N N 119.577 0.05 1 225 69 69 VAL H H 8.347 0.02 1 226 69 69 VAL C C 175.438 0.04 1 227 69 69 VAL CA C 60.529 0.04 1 228 69 69 VAL N N 120.923 0.05 1 229 70 70 ASN H H 10.572 0.02 1 230 70 70 ASN C C 175.258 0.04 1 231 70 70 ASN CA C 54.202 0.04 1 232 70 70 ASN CB C 36.871 0.04 1 233 70 70 ASN N N 129.605 0.05 1 234 71 71 GLY H H 9.176 0.02 1 235 71 71 GLY C C 173.915 0.04 1 236 71 71 GLY CA C 45.194 0.04 1 237 71 71 GLY N N 103.982 0.05 1 238 72 72 VAL H H 8.115 0.02 1 239 72 72 VAL CA C 62.265 0.04 1 240 72 72 VAL N N 124.188 0.05 1 241 73 73 SER H H 8.712 0.02 1 242 73 73 SER C C 176.418 0.04 1 243 73 73 SER CA C 58.458 0.04 1 244 73 73 SER CB C 63.781 0.04 1 245 73 73 SER N N 121.471 0.05 1 246 74 74 LEU H H 8.283 0.02 1 247 74 74 LEU C C 176.326 0.04 1 248 74 74 LEU CA C 53.865 0.04 1 249 74 74 LEU N N 125.886 0.05 1 250 75 75 GLU H H 8.361 0.02 1 251 75 75 GLU C C 177.851 0.04 1 252 75 75 GLU CA C 58.616 0.04 1 253 75 75 GLU CB C 29.359 0.04 1 254 75 75 GLU N N 124.053 0.05 1 255 76 76 GLY H H 9.058 0.02 1 256 76 76 GLY C C 173.629 0.04 1 257 76 76 GLY CA C 45.412 0.04 1 258 76 76 GLY N N 116.179 0.05 1 259 77 77 ALA H H 7.907 0.02 1 260 77 77 ALA C C 179.829 0.04 1 261 77 77 ALA CA C 52.637 0.04 1 262 77 77 ALA CB C 19.855 0.04 1 263 77 77 ALA N N 122.814 0.05 1 264 78 78 THR H H 8.290 0.02 1 265 78 78 THR C C 174.746 0.04 1 266 78 78 THR CA C 60.875 0.04 1 267 78 78 THR N N 111.894 0.05 1 268 79 79 HIS H H 9.206 0.02 1 269 79 79 HIS C C 176.784 0.04 1 270 79 79 HIS CA C 62.109 0.04 1 271 79 79 HIS CB C 30.559 0.04 1 272 79 79 HIS N N 122.365 0.05 1 273 80 80 LYS H H 8.558 0.02 1 274 80 80 LYS C C 179.108 0.04 1 275 80 80 LYS CA C 59.721 0.04 1 276 80 80 LYS CB C 32.848 0.04 1 277 80 80 LYS N N 117.390 0.05 1 278 81 81 GLN H H 7.732 0.02 1 279 81 81 GLN C C 179.514 0.04 1 280 81 81 GLN CA C 58.399 0.04 1 281 81 81 GLN CB C 28.843 0.04 1 282 81 81 GLN N N 118.254 0.05 1 283 82 82 ALA H H 8.578 0.02 1 284 82 82 ALA C C 178.684 0.04 1 285 82 82 ALA CA C 55.648 0.04 1 286 82 82 ALA CB C 19.462 0.04 1 287 82 82 ALA N N 124.624 0.05 1 288 83 83 VAL H H 8.349 0.02 1 289 83 83 VAL C C 179.185 0.04 1 290 83 83 VAL CA C 67.143 0.04 1 291 83 83 VAL CB C 31.622 0.04 1 292 83 83 VAL N N 117.998 0.05 1 293 84 84 GLU H H 8.178 0.02 1 294 84 84 GLU C C 178.528 0.04 1 295 84 84 GLU CA C 59.523 0.04 1 296 84 84 GLU CB C 29.131 0.04 1 297 84 84 GLU N N 120.960 0.05 1 298 85 85 THR H H 8.285 0.02 1 299 85 85 THR C C 173.967 0.04 1 300 85 85 THR CA C 67.169 0.04 1 301 85 85 THR N N 118.005 0.05 1 302 86 86 LEU H H 7.978 0.02 1 303 86 86 LEU N N 120.116 0.05 1 304 87 87 ARG C C 178.172 0.04 1 305 87 87 ARG CA C 58.718 0.04 1 306 87 87 ARG CB C 30.888 0.04 1 307 88 88 ASN H H 7.838 0.02 1 308 88 88 ASN C C 174.966 0.04 1 309 88 88 ASN CA C 52.769 0.04 1 310 88 88 ASN CB C 37.148 0.04 1 311 88 88 ASN N N 120.351 0.05 1 312 89 89 THR H H 7.689 0.02 1 313 89 89 THR C C 175.191 0.04 1 314 89 89 THR CA C 59.890 0.04 1 315 89 89 THR CB C 63.754 0.04 1 316 89 89 THR N N 110.344 0.05 1 317 90 90 GLY H H 8.510 0.02 1 318 90 90 GLY C C 173.421 0.04 1 319 90 90 GLY CA C 44.031 0.04 1 320 90 90 GLY N N 110.269 0.05 1 321 91 91 GLN H H 8.251 0.02 1 322 91 91 GLN C C 175.115 0.04 1 323 91 91 GLN CA C 58.481 0.04 1 324 91 91 GLN CB C 29.068 0.04 1 325 91 91 GLN N N 118.569 0.05 1 326 92 92 VAL H H 7.777 0.02 1 327 92 92 VAL C C 175.832 0.04 1 328 92 92 VAL CA C 61.364 0.04 1 329 92 92 VAL CB C 33.094 0.04 1 330 92 92 VAL N N 116.660 0.05 1 331 93 93 VAL H H 9.083 0.02 1 332 93 93 VAL C C 173.198 0.04 1 333 93 93 VAL CA C 61.198 0.04 1 334 93 93 VAL CB C 34.935 0.04 1 335 93 93 VAL N N 129.275 0.05 1 336 94 94 HIS H H 8.812 0.02 1 337 94 94 HIS C C 174.416 0.04 1 338 94 94 HIS CA C 56.300 0.04 1 339 94 94 HIS CB C 32.202 0.04 1 340 94 94 HIS N N 127.422 0.05 1 341 95 95 LEU H H 9.029 0.02 1 342 95 95 LEU C C 173.497 0.04 1 343 95 95 LEU CA C 53.651 0.04 1 344 95 95 LEU CB C 45.349 0.04 1 345 95 95 LEU N N 127.502 0.05 1 346 96 96 LEU H H 8.041 0.02 1 347 96 96 LEU C C 175.111 0.04 1 348 96 96 LEU CA C 53.881 0.04 1 349 96 96 LEU CB C 44.666 0.04 1 350 96 96 LEU N N 124.473 0.05 1 351 97 97 LEU H H 8.942 0.02 1 352 97 97 LEU C C 174.051 0.04 1 353 97 97 LEU CA C 54.066 0.04 1 354 97 97 LEU CB C 45.951 0.04 1 355 97 97 LEU N N 128.206 0.05 1 356 98 98 GLU H H 8.985 0.02 1 357 98 98 GLU C C 176.357 0.04 1 358 98 98 GLU CA C 54.109 0.04 1 359 98 98 GLU CB C 34.373 0.04 1 360 98 98 GLU N N 119.675 0.05 1 361 99 99 LYS H H 9.217 0.02 1 362 99 99 LYS C C 178.024 0.04 1 363 99 99 LYS CA C 56.196 0.04 1 364 99 99 LYS CB C 31.772 0.04 1 365 99 99 LYS N N 128.994 0.05 1 366 100 100 GLY H H 9.724 0.02 1 367 100 100 GLY C C 172.912 0.04 1 368 100 100 GLY CA C 45.364 0.04 1 369 100 100 GLY N N 118.080 0.05 1 370 101 101 GLN H H 8.224 0.02 1 371 101 101 GLN C C 175.980 0.04 1 372 101 101 GLN CA C 55.293 0.04 1 373 101 101 GLN CB C 30.305 0.04 1 374 101 101 GLN N N 117.949 0.05 1 375 102 102 VAL H H 8.382 0.02 1 376 102 102 VAL CA C 60.313 0.04 1 377 102 102 VAL N N 123.908 0.05 1 378 103 103 PRO CA C 63.046 0.04 1 379 103 103 PRO CB C 32.323 0.04 1 380 110 110 PRO C C 176.705 0.04 1 381 110 110 PRO CA C 63.612 0.04 1 382 110 110 PRO CB C 32.211 0.04 1 383 111 111 ALA H H 8.460 0.02 1 384 111 111 ALA C C 177.948 0.04 1 385 111 111 ALA CA C 52.341 0.04 1 386 111 111 ALA CB C 19.602 0.04 1 387 111 111 ALA N N 123.923 0.05 1 388 112 112 GLY H H 8.046 0.02 1 389 112 112 GLY CA C 44.606 0.04 1 390 112 112 GLY N N 108.385 0.05 1 391 118 118 PRO C C 176.730 0.04 1 392 118 118 PRO CA C 63.230 0.04 1 393 119 119 ASP H H 8.417 0.02 1 394 119 119 ASP C C 176.568 0.04 1 395 119 119 ASP CA C 54.342 0.04 1 396 119 119 ASP N N 120.397 0.05 1 397 120 120 GLN H H 8.351 0.02 1 398 120 120 GLN C C 176.071 0.04 1 399 120 120 GLN CA C 56.502 0.04 1 400 120 120 GLN CB C 29.418 0.04 1 401 120 120 GLN N N 120.889 0.05 1 402 121 121 ASP H H 8.386 0.02 1 403 121 121 ASP C C 176.472 0.04 1 404 121 121 ASP CA C 54.866 0.04 1 405 121 121 ASP CB C 41.157 0.04 1 406 121 121 ASP N N 121.658 0.05 1 407 122 122 ALA H H 8.182 0.02 1 408 122 122 ALA C C 178.170 0.04 1 409 122 122 ALA CA C 53.209 0.04 1 410 122 122 ALA CB C 19.155 0.04 1 411 122 122 ALA N N 124.647 0.05 1 412 123 123 GLN H H 8.292 0.02 1 413 123 123 GLN CA C 56.138 0.04 1 414 123 123 GLN N N 118.554 0.05 1 415 129 129 LYS C C 176.439 0.04 1 416 129 129 LYS CA C 56.273 0.04 1 417 130 130 VAL H H 8.063 0.02 1 418 130 130 VAL C C 175.804 0.04 1 419 130 130 VAL CA C 62.266 0.04 1 420 130 130 VAL N N 121.803 0.05 1 421 131 131 ALA H H 8.411 0.02 1 422 131 131 ALA C C 177.467 0.04 1 423 131 131 ALA CA C 52.381 0.04 1 424 131 131 ALA N N 128.524 0.05 1 425 132 132 LYS H H 8.334 0.02 1 426 132 132 LYS CA C 56.489 0.04 1 427 132 132 LYS N N 117.515 0.05 1 428 141 141 SER CA C 61.054 0.04 1 429 142 142 PHE H H 6.334 0.02 1 430 142 142 PHE C C 175.183 0.04 1 431 142 142 PHE CA C 55.531 0.04 1 432 142 142 PHE CB C 38.502 0.04 1 433 142 142 PHE N N 112.892 0.05 1 434 143 143 VAL H H 7.175 0.02 1 435 143 143 VAL C C 175.156 0.04 1 436 143 143 VAL CA C 63.759 0.04 1 437 143 143 VAL N N 126.862 0.05 1 438 144 144 THR H H 9.323 0.02 1 439 144 144 THR C C 174.715 0.04 1 440 144 144 THR CA C 59.283 0.04 1 441 144 144 THR N N 121.072 0.05 1 442 145 145 GLU H H 8.919 0.02 1 443 145 145 GLU C C 177.531 0.04 1 444 145 145 GLU CA C 58.780 0.04 1 445 145 145 GLU CB C 29.416 0.04 1 446 145 145 GLU N N 118.405 0.05 1 447 146 146 ASP H H 8.056 0.02 1 448 146 146 ASP C C 177.024 0.04 1 449 146 146 ASP CA C 54.697 0.04 1 450 146 146 ASP CB C 42.270 0.04 1 451 146 146 ASP N N 114.602 0.05 1 452 147 147 ASN H H 7.651 0.02 1 453 147 147 ASN C C 174.888 0.04 1 454 147 147 ASN CA C 51.701 0.04 1 455 147 147 ASN CB C 38.342 0.04 1 456 147 147 ASN N N 118.241 0.05 1 457 148 148 THR H H 7.370 0.02 1 458 148 148 THR C C 174.709 0.04 1 459 148 148 THR CA C 60.721 0.04 1 460 148 148 THR N N 111.665 0.05 1 461 149 149 PHE H H 8.831 0.02 1 462 149 149 PHE C C 171.626 0.04 1 463 149 149 PHE CA C 56.124 0.04 1 464 149 149 PHE CB C 40.021 0.04 1 465 149 149 PHE N N 121.374 0.05 1 466 150 150 GLU H H 8.763 0.02 1 467 150 150 GLU C C 176.339 0.04 1 468 150 150 GLU CA C 54.308 0.04 1 469 150 150 GLU CB C 33.001 0.04 1 470 150 150 GLU N N 122.411 0.05 1 471 151 151 VAL H H 9.069 0.02 1 472 151 151 VAL C C 173.436 0.04 1 473 151 151 VAL CA C 61.480 0.04 1 474 151 151 VAL CB C 36.062 0.04 1 475 151 151 VAL N N 125.107 0.05 1 476 152 152 LYS H H 8.629 0.02 1 477 152 152 LYS C C 175.440 0.04 1 478 152 152 LYS CA C 55.056 0.04 1 479 152 152 LYS CB C 33.481 0.04 1 480 152 152 LYS N N 128.034 0.05 1 481 153 153 LEU H H 8.895 0.02 1 482 153 153 LEU C C 174.737 0.04 1 483 153 153 LEU CA C 52.738 0.04 1 484 153 153 LEU CB C 46.485 0.04 1 485 153 153 LEU N N 124.143 0.05 1 486 154 154 PHE H H 8.654 0.02 1 487 154 154 PHE C C 175.837 0.04 1 488 154 154 PHE CA C 56.863 0.04 1 489 154 154 PHE N N 121.827 0.05 1 490 155 155 LYS CA C 56.492 0.04 1 491 158 158 SER C C 174.079 0.04 1 492 158 158 SER CA C 59.206 0.04 1 493 158 158 SER CB C 63.925 0.04 1 494 159 159 GLY H H 8.085 0.02 1 495 159 159 GLY CA C 45.136 0.04 1 496 159 159 GLY N N 111.159 0.05 1 497 160 160 LEU C C 177.785 0.04 1 498 160 160 LEU CA C 55.459 0.04 1 499 160 160 LEU CB C 43.863 0.04 1 500 161 161 GLY H H 8.811 0.02 1 501 161 161 GLY C C 175.129 0.04 1 502 161 161 GLY CA C 46.413 0.04 1 503 161 161 GLY N N 105.398 0.05 1 504 162 162 PHE H H 7.481 0.02 1 505 162 162 PHE C C 173.185 0.04 1 506 162 162 PHE CA C 55.854 0.04 1 507 162 162 PHE CB C 41.569 0.04 1 508 162 162 PHE N N 117.008 0.05 1 509 163 163 SER H H 8.805 0.02 1 510 163 163 SER C C 174.628 0.04 1 511 163 163 SER CA C 55.608 0.04 1 512 163 163 SER CB C 65.488 0.04 1 513 163 163 SER N N 116.350 0.05 1 514 164 164 PHE H H 8.631 0.02 1 515 164 164 PHE C C 173.169 0.04 1 516 164 164 PHE CA C 55.393 0.04 1 517 164 164 PHE CB C 42.998 0.04 1 518 164 164 PHE N N 120.305 0.05 1 519 165 165 SER H H 9.523 0.02 1 520 165 165 SER CA C 56.394 0.04 1 521 165 165 SER N N 116.853 0.05 1 522 166 166 ARG H H 9.098 0.02 1 523 166 166 ARG N N 126.921 0.05 1 524 167 167 GLU H H 8.121 0.02 1 525 167 167 GLU C C 175.547 0.04 1 526 167 167 GLU CA C 55.246 0.04 1 527 167 167 GLU CB C 33.481 0.04 1 528 167 167 GLU N N 121.716 0.05 1 529 168 168 ASP H H 8.916 0.02 1 530 168 168 ASP C C 175.458 0.04 1 531 168 168 ASP CA C 53.821 0.04 1 532 168 168 ASP CB C 42.698 0.04 1 533 168 168 ASP N N 124.126 0.05 1 534 169 169 ASN H H 8.714 0.02 1 535 169 169 ASN C C 175.061 0.04 1 536 169 169 ASN CA C 53.784 0.04 1 537 169 169 ASN CB C 38.365 0.04 1 538 169 169 ASN N N 117.143 0.05 1 539 170 170 LEU H H 8.591 0.02 1 540 170 170 LEU C C 177.119 0.04 1 541 170 170 LEU CA C 56.741 0.04 1 542 170 170 LEU CB C 43.451 0.04 1 543 170 170 LEU N N 119.672 0.05 1 544 171 171 ILE H H 7.803 0.02 1 545 171 171 ILE CA C 58.426 0.04 1 546 171 171 ILE N N 115.247 0.05 1 547 172 172 PRO C C 177.387 0.04 1 548 172 172 PRO CA C 64.859 0.04 1 549 172 172 PRO CB C 31.967 0.04 1 550 173 173 GLU H H 8.636 0.02 1 551 173 173 GLU C C 176.204 0.04 1 552 173 173 GLU CA C 57.609 0.04 1 553 173 173 GLU CB C 29.143 0.04 1 554 173 173 GLU N N 116.278 0.05 1 555 174 174 GLN H H 8.085 0.02 1 556 174 174 GLN CA C 55.806 0.04 1 557 174 174 GLN N N 120.223 0.05 1 558 176 176 ASN C C 175.127 0.04 1 559 176 176 ASN CA C 53.414 0.04 1 560 176 176 ASN CB C 39.175 0.04 1 561 177 177 GLY H H 8.311 0.02 1 562 177 177 GLY CA C 45.448 0.04 1 563 177 177 GLY N N 108.622 0.05 1 564 178 178 SER H H 8.296 0.02 1 565 178 178 SER C C 173.849 0.04 1 566 178 178 SER CA C 59.077 0.04 1 567 178 178 SER CB C 64.099 0.04 1 568 178 178 SER N N 116.375 0.05 1 569 179 179 ILE H H 8.656 0.02 1 570 179 179 ILE C C 173.968 0.04 1 571 179 179 ILE CA C 60.872 0.04 1 572 179 179 ILE N N 122.197 0.05 1 573 180 180 VAL H H 9.610 0.02 1 574 180 180 VAL C C 175.028 0.04 1 575 180 180 VAL CA C 61.122 0.04 1 576 180 180 VAL N N 130.829 0.05 1 577 181 181 ARG H H 8.691 0.02 1 578 181 181 ARG C C 176.180 0.04 1 579 181 181 ARG CA C 53.575 0.04 1 580 181 181 ARG N N 123.942 0.05 1 581 182 182 VAL H H 8.688 0.02 1 582 182 182 VAL C C 174.776 0.04 1 583 182 182 VAL CA C 64.396 0.04 1 584 182 182 VAL N N 121.452 0.05 1 585 183 183 LYS H H 9.218 0.02 1 586 183 183 LYS C C 174.251 0.04 1 587 183 183 LYS CA C 57.145 0.04 1 588 183 183 LYS CB C 34.410 0.04 1 589 183 183 LYS N N 131.712 0.05 1 590 184 184 LYS H H 7.188 0.02 1 591 184 184 LYS C C 177.176 0.04 1 592 184 184 LYS CA C 56.014 0.04 1 593 184 184 LYS CB C 36.192 0.04 1 594 184 184 LYS N N 117.431 0.05 1 595 185 185 LEU H H 8.692 0.02 1 596 185 185 LEU C C 176.047 0.04 1 597 185 185 LEU CA C 53.269 0.04 1 598 185 185 LEU CB C 44.373 0.04 1 599 185 185 LEU N N 124.794 0.05 1 600 186 186 PHE H H 7.575 0.02 1 601 186 186 PHE CA C 53.673 0.04 1 602 186 186 PHE N N 122.852 0.05 1 603 187 187 PRO C C 178.000 0.04 1 604 187 187 PRO CA C 64.058 0.04 1 605 188 188 GLY H H 9.403 0.02 1 606 188 188 GLY C C 173.517 0.04 1 607 188 188 GLY CA C 45.651 0.04 1 608 188 188 GLY N N 111.318 0.05 1 609 189 189 GLN H H 7.286 0.02 1 610 189 189 GLN CA C 54.149 0.04 1 611 189 189 GLN N N 119.196 0.05 1 612 190 190 PRO C C 179.468 0.04 1 613 190 190 PRO CA C 67.666 0.04 1 614 191 191 ALA H H 8.465 0.02 1 615 191 191 ALA C C 180.494 0.04 1 616 191 191 ALA CA C 56.093 0.04 1 617 191 191 ALA CB C 19.091 0.04 1 618 191 191 ALA N N 119.222 0.05 1 619 192 192 ALA H H 10.289 0.02 1 620 192 192 ALA C C 180.257 0.04 1 621 192 192 ALA CA C 55.301 0.04 1 622 192 192 ALA CB C 19.356 0.04 1 623 192 192 ALA N N 127.131 0.05 1 624 193 193 GLU H H 8.428 0.02 1 625 193 193 GLU C C 178.386 0.04 1 626 193 193 GLU CA C 58.446 0.04 1 627 193 193 GLU CB C 29.877 0.04 1 628 193 193 GLU N N 117.316 0.05 1 629 194 194 SER H H 7.891 0.02 1 630 194 194 SER C C 175.843 0.04 1 631 194 194 SER CA C 61.230 0.04 1 632 194 194 SER CB C 64.205 0.04 1 633 194 194 SER N N 113.718 0.05 1 634 195 195 GLY H H 7.381 0.02 1 635 195 195 GLY C C 174.797 0.04 1 636 195 195 GLY CA C 46.536 0.04 1 637 195 195 GLY N N 109.544 0.05 1 638 196 196 LYS H H 7.812 0.02 1 639 196 196 LYS C C 174.795 0.04 1 640 196 196 LYS CA C 56.120 0.04 1 641 196 196 LYS CB C 36.269 0.04 1 642 196 196 LYS N N 118.202 0.05 1 643 197 197 ILE H H 7.778 0.02 1 644 197 197 ILE C C 173.228 0.04 1 645 197 197 ILE CA C 60.246 0.04 1 646 197 197 ILE CB C 40.916 0.04 1 647 197 197 ILE N N 117.761 0.05 1 648 198 198 ASP H H 9.157 0.02 1 649 198 198 ASP C C 176.250 0.04 1 650 198 198 ASP CA C 51.714 0.04 1 651 198 198 ASP CB C 42.865 0.04 1 652 198 198 ASP N N 129.396 0.05 1 653 199 199 VAL H H 8.506 0.02 1 654 199 199 VAL C C 177.990 0.04 1 655 199 199 VAL CA C 65.392 0.04 1 656 199 199 VAL CB C 31.493 0.04 1 657 199 199 VAL N N 120.542 0.05 1 658 200 200 GLY H H 9.487 0.02 1 659 200 200 GLY C C 173.934 0.04 1 660 200 200 GLY CA C 44.581 0.04 1 661 200 200 GLY N N 117.725 0.05 1 662 201 201 ASP H H 7.853 0.02 1 663 201 201 ASP C C 175.272 0.04 1 664 201 201 ASP CA C 56.205 0.04 1 665 201 201 ASP CB C 40.548 0.04 1 666 201 201 ASP N N 122.654 0.05 1 667 202 202 VAL H H 9.091 0.02 1 668 202 202 VAL C C 175.957 0.04 1 669 202 202 VAL CA C 61.156 0.04 1 670 202 202 VAL N N 122.438 0.05 1 671 203 203 ILE H H 8.857 0.02 1 672 203 203 ILE C C 174.403 0.04 1 673 203 203 ILE CA C 61.342 0.04 1 674 203 203 ILE N N 126.528 0.05 1 675 204 204 LEU H H 9.205 0.02 1 676 204 204 LEU C C 179.322 0.04 1 677 204 204 LEU CA C 56.431 0.04 1 678 204 204 LEU CB C 43.555 0.04 1 679 204 204 LEU N N 126.528 0.05 1 680 205 205 LYS H H 7.860 0.02 1 681 205 205 LYS C C 174.667 0.04 1 682 205 205 LYS CA C 54.870 0.04 1 683 205 205 LYS CB C 29.376 0.04 1 684 205 205 LYS N N 115.163 0.05 1 685 206 206 VAL H H 8.400 0.02 1 686 206 206 VAL C C 176.027 0.04 1 687 206 206 VAL CA C 60.771 0.04 1 688 206 206 VAL N N 119.132 0.05 1 689 207 207 ASN H H 10.154 0.02 1 690 207 207 ASN C C 175.570 0.04 1 691 207 207 ASN CA C 54.190 0.04 1 692 207 207 ASN CB C 37.044 0.04 1 693 207 207 ASN N N 130.018 0.05 1 694 208 208 GLY H H 9.085 0.02 1 695 208 208 GLY C C 172.745 0.04 1 696 208 208 GLY CA C 45.352 0.04 1 697 208 208 GLY N N 103.821 0.05 1 698 209 209 ALA H H 8.088 0.02 1 699 209 209 ALA CA C 48.855 0.04 1 700 209 209 ALA N N 127.186 0.05 1 701 210 210 PRO C C 177.664 0.04 1 702 210 210 PRO CA C 62.089 0.04 1 703 210 210 PRO CB C 32.608 0.04 1 704 211 211 LEU H H 7.629 0.02 1 705 211 211 LEU C C 178.218 0.04 1 706 211 211 LEU CA C 55.053 0.04 1 707 211 211 LEU CB C 40.968 0.04 1 708 211 211 LEU N N 119.417 0.05 1 709 212 212 LYS H H 8.336 0.02 1 710 212 212 LYS C C 177.442 0.04 1 711 212 212 LYS CA C 59.213 0.04 1 712 212 212 LYS N N 123.490 0.05 1 713 213 213 GLY H H 8.444 0.02 1 714 213 213 GLY C C 174.658 0.04 1 715 213 213 GLY CA C 45.548 0.04 1 716 213 213 GLY N N 113.857 0.05 1 717 214 214 LEU H H 7.652 0.02 1 718 214 214 LEU C C 178.794 0.04 1 719 214 214 LEU CA C 54.890 0.04 1 720 214 214 LEU N N 121.616 0.05 1 721 215 215 SER H H 9.494 0.02 1 722 215 215 SER C C 173.796 0.04 1 723 215 215 SER CA C 57.516 0.04 1 724 215 215 SER N N 120.137 0.05 1 725 216 216 GLN H H 9.276 0.02 1 726 216 216 GLN C C 177.715 0.04 1 727 216 216 GLN CA C 60.703 0.04 1 728 216 216 GLN CB C 28.214 0.04 1 729 216 216 GLN N N 121.452 0.05 1 730 217 217 GLN H H 8.665 0.02 1 731 217 217 GLN C C 178.160 0.04 1 732 217 217 GLN CA C 59.169 0.04 1 733 217 217 GLN CB C 27.982 0.04 1 734 217 217 GLN N N 116.721 0.05 1 735 218 218 ASP H H 7.865 0.02 1 736 218 218 ASP C C 179.298 0.04 1 737 218 218 ASP CA C 57.123 0.04 1 738 218 218 ASP CB C 40.117 0.04 1 739 218 218 ASP N N 121.796 0.05 1 740 219 219 VAL H H 8.495 0.02 1 741 219 219 VAL C C 177.044 0.04 1 742 219 219 VAL CA C 67.594 0.04 1 743 219 219 VAL CB C 29.170 0.04 1 744 219 219 VAL N N 124.679 0.05 1 745 220 220 ILE H H 8.074 0.02 1 746 220 220 ILE C C 178.971 0.04 1 747 220 220 ILE CA C 66.049 0.04 1 748 220 220 ILE CB C 38.117 0.04 1 749 220 220 ILE N N 119.765 0.05 1 750 221 221 SER H H 8.147 0.02 1 751 221 221 SER C C 176.892 0.04 1 752 221 221 SER CA C 61.840 0.04 1 753 221 221 SER CB C 62.593 0.04 1 754 221 221 SER N N 113.973 0.05 1 755 222 222 ALA H H 7.979 0.02 1 756 222 222 ALA C C 179.723 0.04 1 757 222 222 ALA CA C 54.690 0.04 1 758 222 222 ALA CB C 17.530 0.04 1 759 222 222 ALA N N 124.568 0.05 1 760 223 223 LEU H H 7.841 0.02 1 761 223 223 LEU C C 177.267 0.04 1 762 223 223 LEU CA C 56.427 0.04 1 763 223 223 LEU CB C 42.311 0.04 1 764 223 223 LEU N N 116.119 0.05 1 765 224 224 ARG H H 7.812 0.02 1 766 224 224 ARG C C 177.293 0.04 1 767 224 224 ARG CA C 57.096 0.04 1 768 224 224 ARG CB C 30.542 0.04 1 769 224 224 ARG N N 119.509 0.05 1 770 225 225 GLY H H 7.743 0.02 1 771 225 225 GLY C C 173.796 0.04 1 772 225 225 GLY CA C 45.200 0.04 1 773 225 225 GLY N N 106.527 0.05 1 774 226 226 THR H H 7.917 0.02 1 775 226 226 THR CA C 61.208 0.04 1 776 226 226 THR N N 119.975 0.05 1 777 228 228 PRO C C 175.823 0.04 1 778 228 228 PRO CA C 65.148 0.04 1 779 228 228 PRO CB C 32.657 0.04 1 780 229 229 GLU H H 7.248 0.02 1 781 229 229 GLU C C 175.249 0.04 1 782 229 229 GLU CA C 54.718 0.04 1 783 229 229 GLU CB C 31.584 0.04 1 784 229 229 GLU N N 115.550 0.05 1 785 230 230 VAL H H 9.048 0.02 1 786 230 230 VAL C C 174.262 0.04 1 787 230 230 VAL CA C 61.057 0.04 1 788 230 230 VAL CB C 32.319 0.04 1 789 230 230 VAL N N 126.152 0.05 1 790 231 231 SER H H 8.583 0.02 1 791 231 231 SER C C 174.147 0.04 1 792 231 231 SER CA C 56.989 0.04 1 793 231 231 SER CB C 63.637 0.04 1 794 231 231 SER N N 121.649 0.05 1 795 232 232 LEU H H 9.346 0.02 1 796 232 232 LEU C C 174.510 0.04 1 797 232 232 LEU CA C 53.356 0.04 1 798 232 232 LEU CB C 44.327 0.04 1 799 232 232 LEU N N 128.367 0.05 1 800 233 233 LEU H H 8.465 0.02 1 801 233 233 LEU C C 174.857 0.04 1 802 233 233 LEU CA C 54.190 0.04 1 803 233 233 LEU CB C 43.923 0.04 1 804 233 233 LEU N N 125.521 0.05 1 805 234 234 LEU H H 9.043 0.02 1 806 234 234 LEU C C 174.456 0.04 1 807 234 234 LEU CA C 53.509 0.04 1 808 234 234 LEU N N 128.959 0.05 1 809 235 235 CYS H H 9.166 0.02 1 810 235 235 CYS C C 172.863 0.04 1 811 235 235 CYS CA C 56.343 0.04 1 812 235 235 CYS CB C 30.499 0.04 1 813 235 235 CYS N N 117.751 0.05 1 814 236 236 ARG H H 8.797 0.02 1 815 236 236 ARG CA C 52.556 0.04 1 816 236 236 ARG N N 132.189 0.05 1 817 237 237 PRO C C 175.241 0.04 1 818 237 237 PRO CA C 62.151 0.04 1 819 237 237 PRO CB C 31.999 0.04 1 820 238 238 ALA H H 8.420 0.02 1 821 238 238 ALA N N 124.979 0.05 1 822 239 239 PRO C C 177.978 0.04 1 823 239 239 PRO CA C 64.049 0.04 1 824 239 239 PRO CB C 31.390 0.04 1 825 240 240 GLY H H 8.876 0.02 1 826 240 240 GLY C C 174.704 0.04 1 827 240 240 GLY CA C 45.237 0.04 1 828 240 240 GLY N N 112.572 0.05 1 829 241 241 VAL H H 7.602 0.02 1 830 241 241 VAL C C 176.046 0.04 1 831 241 241 VAL CA C 65.569 0.04 1 832 241 241 VAL CB C 29.298 0.04 1 833 241 241 VAL N N 122.040 0.05 1 834 242 242 LEU H H 8.368 0.02 1 835 242 242 LEU CA C 50.935 0.04 1 836 242 242 LEU N N 118.554 0.05 1 837 243 243 PRO C C 176.797 0.04 1 838 243 243 PRO CA C 63.232 0.04 1 839 243 243 PRO CB C 32.319 0.04 1 840 244 244 GLU H H 8.520 0.02 1 841 244 244 GLU C C 174.052 0.04 1 842 244 244 GLU CA C 56.615 0.04 1 843 244 244 GLU CB C 30.072 0.04 1 844 244 244 GLU N N 121.704 0.05 1 845 245 245 ILE H H 8.692 0.02 1 846 245 245 ILE C C 175.655 0.04 1 847 245 245 ILE CA C 61.886 0.04 1 848 245 245 ILE CB C 38.741 0.04 1 849 245 245 ILE N N 124.756 0.05 1 850 246 246 ASP H H 8.516 0.02 1 851 246 246 ASP C C 175.375 0.04 1 852 246 246 ASP CA C 54.187 0.04 1 853 246 246 ASP CB C 41.153 0.04 1 854 246 246 ASP N N 125.571 0.05 1 855 247 247 THR H H 7.927 0.02 1 856 247 247 THR CA C 59.913 0.04 1 857 247 247 THR N N 116.947 0.05 1 858 248 248 PRO C C 177.517 0.04 1 859 248 248 PRO CA C 63.709 0.04 1 860 248 248 PRO CB C 32.393 0.04 1 861 249 249 GLY H H 8.500 0.02 1 862 249 249 GLY C C 173.839 0.04 1 863 249 249 GLY CA C 45.126 0.04 1 864 249 249 GLY N N 109.782 0.05 1 865 250 250 ASN H H 8.329 0.02 1 866 250 250 ASN CA C 53.214 0.04 1 867 250 250 ASN N N 119.357 0.05 1 stop_ save_