data_11010 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Rac1/PRK1 Complex ; _BMRB_accession_number 11010 _BMRB_flat_file_name bmr11010.str _Entry_type new _Submission_date 2007-10-25 _Accession_date 2007-10-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Modha Rakhee . . 2 Campbell Louise J. . 3 Nietlispach Daniel . . 4 Buhecha Heeran R. . 5 Owen Darerca . . 6 Mott Helen R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1327 "13C chemical shifts" 970 "15N chemical shifts" 248 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-27 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title 'The Rac1 polybasic region is required for interaction with its effector PRK1' _Citation_status published _Citation_type journal _PubMed_ID 18006505 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Modha Rakhee . . 2 Campbell Louise J. . 3 Nietlispach Daniel . . 4 Buhecha Heeran R. . 5 Owen Darerca . . 6 Mott Helen R. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 283 _Journal_issue 3 _Page_first 1492 _Page_last 1500 _Year 2008 loop_ _Keyword 'G protein' Rac1 signalling stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Rac1/HR1b complex' loop_ _Mol_system_component_name _Mol_label Rac1 $Rac1 'PRK1 HR1b' $PRK1_HR1b 'PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER' $GCP stop_ _System_physical_state native _System_oligomer_state ? _System_paramagnetic no save_ ######################## # Monomeric polymers # ######################## save_Rac1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rac1 _Molecular_mass 21477.398 _Mol_thiol_state 'all free' loop_ _Biological_function 'Ras-like protein' stop_ ############################## # Polymer residue sequence # ############################## _Residue_count 192 _Mol_residue_sequence ; MQAIKCVVVGDGAVGKTCLL ISYTTNAFPGEYIPTVFDNY SANVMVDGKPVNLGLWDTAG LEDYDRLRPLSYPQTDVFLI CFSLVSPASFENVRAKWYPE VRHHCPNTPIILVGTKLDLR DDKDTIEKLKEKKLTPITYP QGLAMAKEIGAVKYLECSAL TQRGLKTVFDEAIRAVLCPP PVKKRKRKCLLL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ALA 4 ILE 5 LYS 6 CYS 7 VAL 8 VAL 9 VAL 10 GLY 11 ASP 12 GLY 13 ALA 14 VAL 15 GLY 16 LYS 17 THR 18 CYS 19 LEU 20 LEU 21 ILE 22 SER 23 TYR 24 THR 25 THR 26 ASN 27 ALA 28 PHE 29 PRO 30 GLY 31 GLU 32 TYR 33 ILE 34 PRO 35 THR 36 VAL 37 PHE 38 ASP 39 ASN 40 TYR 41 SER 42 ALA 43 ASN 44 VAL 45 MET 46 VAL 47 ASP 48 GLY 49 LYS 50 PRO 51 VAL 52 ASN 53 LEU 54 GLY 55 LEU 56 TRP 57 ASP 58 THR 59 ALA 60 GLY 61 LEU 62 GLU 63 ASP 64 TYR 65 ASP 66 ARG 67 LEU 68 ARG 69 PRO 70 LEU 71 SER 72 TYR 73 PRO 74 GLN 75 THR 76 ASP 77 VAL 78 PHE 79 LEU 80 ILE 81 CYS 82 PHE 83 SER 84 LEU 85 VAL 86 SER 87 PRO 88 ALA 89 SER 90 PHE 91 GLU 92 ASN 93 VAL 94 ARG 95 ALA 96 LYS 97 TRP 98 TYR 99 PRO 100 GLU 101 VAL 102 ARG 103 HIS 104 HIS 105 CYS 106 PRO 107 ASN 108 THR 109 PRO 110 ILE 111 ILE 112 LEU 113 VAL 114 GLY 115 THR 116 LYS 117 LEU 118 ASP 119 LEU 120 ARG 121 ASP 122 ASP 123 LYS 124 ASP 125 THR 126 ILE 127 GLU 128 LYS 129 LEU 130 LYS 131 GLU 132 LYS 133 LYS 134 LEU 135 THR 136 PRO 137 ILE 138 THR 139 TYR 140 PRO 141 GLN 142 GLY 143 LEU 144 ALA 145 MET 146 ALA 147 LYS 148 GLU 149 ILE 150 GLY 151 ALA 152 VAL 153 LYS 154 TYR 155 LEU 156 GLU 157 CYS 158 SER 159 ALA 160 LEU 161 THR 162 GLN 163 ARG 164 GLY 165 LEU 166 LYS 167 THR 168 VAL 169 PHE 170 ASP 171 GLU 172 ALA 173 ILE 174 ARG 175 ALA 176 VAL 177 LEU 178 CYS 179 PRO 180 PRO 181 PRO 182 VAL 183 LYS 184 LYS 185 ARG 186 LYS 187 ARG 188 LYS 189 CYS 190 LEU 191 LEU 192 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 PDB 1E96 "Structure Of The RacP67PHOX COMPLEX" 99.48 192 100.00 100.00 1.76e-136 PDB 1FOE "Crystal Structure Of Rac1 In Complex With The Guanine Nucleotide Exchange Region Of Tiam1" 92.19 177 99.44 99.44 3.56e-125 PDB 1G4U "Crystal Structure Of The Salmonella Tyrosine Phosphatase And Gtpase Activating Protein Sptp Bound To Rac1" 95.83 184 98.91 98.91 1.20e-129 PDB 1HE1 "Crystal Structure Of The Complex Between The Gap Domain Of The Pseudomonas Aeruginosa Exos Toxin And Human Rac" 91.15 176 99.43 99.43 1.74e-123 PDB 1HH4 "Rac1-Rhogdi Complex Involved In Nadph Oxidase Activation" 99.48 192 98.95 98.95 1.81e-134 PDB 1I4D "Crystal Structure Analysis Of Rac1-Gdp Complexed With Arfaptin (P21)" 100.00 192 99.48 99.48 8.82e-137 PDB 1I4L "Crystal Structure Analysis Of Rac1-Gdp In Complex With Arfaptin (P41)" 100.00 192 99.48 99.48 8.82e-137 PDB 1I4T "Crystal Structure Analysis Of Rac1-Gmppnp In Complex With Arfaptin" 100.00 192 100.00 100.00 1.57e-137 PDB 1MH1 "Small G-Protein" 95.31 186 98.91 98.91 1.61e-128 PDB 2FJU "Activated Rac1 Bound To Its Effector Phospholipase C Beta 2" 92.19 178 99.44 99.44 2.35e-125 PDB 2H7V "Co-crystal Structure Of Ypka-rac1" 95.83 188 98.91 98.91 1.31e-129 PDB 2NZ8 "N-Terminal Dhph Cassette Of Trio In Complex With Nucleotide- Free Rac1" 92.19 177 99.44 99.44 3.56e-125 PDB 2P2L "Rac1-gdp-zinc Complex" 95.83 188 98.91 98.91 1.31e-129 PDB 2RMK "Rac1PRK1 COMPLEX" 100.00 192 100.00 100.00 1.57e-137 PDB 2VRW "Critical Structural Role For The Ph And C1 Domains Of The Vav1 Exchange Factor" 95.83 184 99.46 99.46 1.09e-130 PDB 2WKP "Structure Of A Photoactivatable Rac1 Containing Lov2 Wildtype" 93.23 332 97.77 98.88 2.23e-124 PDB 2WKQ "Structure Of A Photoactivatable Rac1 Containing The Lov2 C450a Mutant" 93.23 332 97.77 98.88 1.34e-124 PDB 2WKR "Structure Of A Photoactivatable Rac1 Containing The Lov2 C450m Mutant" 93.23 332 97.77 98.88 1.46e-124 PDB 2YIN "Structure Of The Complex Between Dock2 And Rac1" 92.19 196 99.44 99.44 9.96e-126 PDB 3B13 "Crystal Structure Of The Dhr-2 Domain Of Dock2 In Complex With Rac1 (T17n Mutant)" 92.19 184 98.87 98.87 8.28e-125 PDB 3BJI "Structural Basis Of Promiscuous Guanine Nucleotide Exchange By The T-Cell Essential Vav1" 92.19 177 99.44 99.44 3.56e-125 PDB 3RYT "The Plexin A1 Intracellular Region In Complex With Rac1" 92.19 180 100.00 100.00 8.74e-126 PDB 3SBD "Crystal Structure Of Rac1 P29s Mutant" 91.67 187 98.86 98.86 2.31e-123 PDB 3SBE "Crystal Structure Of Rac1 P29s Mutant" 91.67 187 98.86 98.86 2.31e-123 PDB 3SU8 "Crystal Structure Of A Truncated Intracellular Domain Of Plexin-B1 In Complex With Rac1" 92.19 184 99.44 99.44 2.02e-125 PDB 3SUA "Crystal Structure Of The Intracellular Domain Of Plexin-B1 In Complex With Rac1" 92.19 184 99.44 99.44 2.02e-125 PDB 3TH5 "Crystal Structure Of Wild-Type Rac1" 91.67 204 99.43 99.43 1.31e-124 PDB 4GZL "Crystal Structure Of Rac1 Q61l Mutant" 91.67 204 100.00 100.00 1.69e-125 PDB 4GZM "Crystal Structure Of Rac1 F28l Mutant" 91.67 204 98.86 98.86 1.11e-123 PDB 4YON "P-rex1:rac1 Complex" 92.19 179 98.87 98.87 6.76e-124 DBJ BAB25667 "unnamed protein product [Mus musculus]" 100.00 192 98.96 99.48 3.39e-136 DBJ BAB26027 "unnamed protein product [Mus musculus]" 100.00 192 99.48 99.48 8.82e-137 DBJ BAB69451 "unnamed protein product [Mus musculus]" 100.00 192 99.48 99.48 8.82e-137 DBJ BAC16311 "Raichu-1011X [synthetic construct]" 91.67 763 99.43 99.43 8.59e-119 DBJ BAC28767 "unnamed protein product [Mus musculus]" 100.00 192 99.48 99.48 8.82e-137 EMBL CAA39801 "rac2 [Canis lupus familiaris]" 100.00 192 99.48 99.48 8.82e-137 EMBL CAA40545 "ras-related C3 botulinium toxin substrate [Mus musculus]" 100.00 192 99.48 99.48 8.82e-137 EMBL CAB53579 "Rac1 protein [Homo sapiens]" 100.00 192 99.48 99.48 8.82e-137 EMBL CAJ83626 "ras-related C3 botulinum toxin substrate 1 (rho family, small GTP binding protein Rac1) [Xenopus (Silurana) tropicalis]" 100.00 192 99.48 99.48 8.82e-137 EMBL CDQ72552 "unnamed protein product [Oncorhynchus mykiss]" 100.00 192 98.44 98.44 1.07e-134 GB AAA36537 "ras-related C3 botulinum toxin substrate [Homo sapiens]" 100.00 192 99.48 99.48 8.82e-137 GB AAA36544 "ras-like protein [Homo sapiens]" 99.48 191 99.48 99.48 3.53e-136 GB AAB22206 "rac1 p21=small GTP-binding protein [human, HL60, Peptide, 192 aa]" 100.00 192 99.48 99.48 8.82e-137 GB AAC18960 "GTPase cRac1A [Gallus gallus]" 100.00 192 99.48 99.48 8.82e-137 GB AAD50299 "rac GTPase [Xenopus laevis]" 100.00 192 98.96 99.48 2.09e-136 REF NP_001003274 "ras-related C3 botulinum toxin substrate 1 precursor [Canis lupus familiaris]" 100.00 192 99.48 99.48 8.82e-137 REF NP_001004840 "ras-related C3 botulinum toxin substrate 1 [Xenopus (Silurana) tropicalis]" 100.00 192 99.48 99.48 8.82e-137 REF NP_001034907 "uncharacterized protein LOC562838 [Danio rerio]" 100.00 192 97.92 97.92 6.59e-134 REF NP_001084224 "ras-related C3 botulinum toxin substrate 3 (rho family, small GTP binding protein Rac3) [Xenopus laevis]" 100.00 192 98.96 99.48 2.09e-136 REF NP_001089332 "ras-related C3 botulinum toxin substrate 1 (rho family, small GTP binding protein Rac1) [Xenopus laevis]" 100.00 192 98.44 98.96 2.35e-135 SP P62998 "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=p21-Rac1; Flags: Precursor" 100.00 192 99.48 99.48 8.82e-137 SP P62999 "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=Rac2; AltName: Full=p21-Rac1; Flags: Precursor" 100.00 192 99.48 99.48 8.82e-137 SP P63000 "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=Cell migration-inducing gene 5 protein; AltName: Full=R" 100.00 192 99.48 99.48 8.82e-137 SP P63001 "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=p21-Rac1; Flags: Precursor" 100.00 192 99.48 99.48 8.82e-137 SP Q6RUV5 "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=p21-Rac1; Flags: Precursor" 100.00 192 99.48 99.48 8.82e-137 TPG DAA15019 "TPA: ras-related C3 botulinum toxin substrate 1 precursor [Bos taurus]" 94.27 181 99.45 99.45 9.14e-129 stop_ save_ save_PRK1_HR1b _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PRK1_HR1b _Molecular_mass 9019.512 _Mol_thiol_state 'not present' loop_ _Biological_function 'protein kinase' stop_ _Residue_count 81 _Mol_residue_sequence ; GIPATNLSRVAGLEKQLAIE LKVKQGAENMIQTYSNGSTK DRKLLLTAQQMLQDSKTKID IIRMQLRRALQADQLENQAA P ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1119 GLY 2 1120 ILE 3 1121 PRO 4 1122 ALA 5 1123 THR 6 1124 ASN 7 1125 LEU 8 1126 SER 9 1127 ARG 10 1128 VAL 11 1129 ALA 12 1130 GLY 13 1131 LEU 14 1132 GLU 15 1133 LYS 16 1134 GLN 17 1135 LEU 18 1136 ALA 19 1137 ILE 20 1138 GLU 21 1139 LEU 22 1140 LYS 23 1141 VAL 24 1142 LYS 25 1143 GLN 26 1144 GLY 27 1145 ALA 28 1146 GLU 29 1147 ASN 30 1148 MET 31 1149 ILE 32 1150 GLN 33 1151 THR 34 1152 TYR 35 1153 SER 36 1154 ASN 37 1155 GLY 38 1156 SER 39 1157 THR 40 1158 LYS 41 1159 ASP 42 1160 ARG 43 1161 LYS 44 1162 LEU 45 1163 LEU 46 1164 LEU 47 1165 THR 48 1166 ALA 49 1167 GLN 50 1168 GLN 51 1169 MET 52 1170 LEU 53 1171 GLN 54 1172 ASP 55 1173 SER 56 1174 LYS 57 1175 THR 58 1176 LYS 59 1177 ILE 60 1178 ASP 61 1179 ILE 62 1180 ILE 63 1181 ARG 64 1182 MET 65 1183 GLN 66 1184 LEU 67 1185 ARG 68 1186 ARG 69 1187 ALA 70 1188 LEU 71 1189 GLN 72 1190 ALA 73 1191 ASP 74 1192 GLN 75 1193 LEU 76 1194 GLU 77 1195 ASN 78 1196 GLN 79 1197 ALA 80 1198 ALA 81 1199 PRO stop_ 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 SWS Q16512 PKN1_HUMAN . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rac1 Human 9606 Eukaryota Metazoa Homo sapiens $PRK1_HR1b 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 $Rac1 'recombinant technology' . . . . pGEX-2T $PRK1_HR1b 'recombinant technology' . . . . pGEX-3X $GCP 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Deuterated_Rac _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rac1 0.6 mM '[U-13C; U-15N; U-2H]' $PRK1_HR1b 0.6 mM 'natural abundance' $GCP 0.7 mM 'natural abundance' Tris-HCl 10 mM 'natural abundance' NaCl 200 mM 'natural abundance' MgCl2 5 mM 'natural abundance' dithiothreitol 10 mM 'natural abundance' NaN3 0.05 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ save_13C,15N_Rac1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rac1 0.6 mM '[U-100% 13C; U-100% 15N]' $PRK1_HR1b 0.6 mM 'natural abundance' $GCP 0.7 mM 'natural abundance' Tris-HCl 10 mM 'natural abundance' NaCl 200 mM 'natural abundance' MgCl2 5 mM 'natural abundance' dithiothreitol 10 mM 'natural abundance' NaN3 0.05 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ save_15N_Rac _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rac1 0.6 mM '[U-100% 15N]' $PRK1_HR1b 0.6 mM 'natural abundance' $GCP 0.7 mM 'natural abundance' Tris-HCl 10 mM 'natural abundance' NaCl 200 mM 'natural abundance' MgCl2 5 mM 'natural abundance' dithiothreitol 10 mM 'natural abundance' NaN3 0.05 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ save_13C,15N_HR1b _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rac1 0.6 mM 'natural abundance' $PRK1_HR1b 0.6 mM '[U-100% 13C; U-100% 15N]' $GCP 0.7 mM 'natural abundance' Tris-HCl 10 mM 'natural abundance' NaCl 200 mM 'natural abundance' MgCl2 5 mM 'natural abundance' dithiothreitol 10 mM 'natural abundance' NaN3 0.05 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ save_15N_HR1b _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rac1 0.6 mM 'natural abundance' $PRK1_HR1b 0.6 mM '[U-100% 15N]' $GCP 0.7 mM 'natural abundance' Tris-HCl 10 mM 'natural abundance' NaCl 200 mM 'natural abundance' MgCl2 5 mM 'natural abundance' dithiothreitol 10 mM 'natural abundance' NaN3 0.05 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Saveframe_category software _Name AZARA _Version 2.7 loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task processing stop_ save_ save_ANSIG _Saveframe_category software _Name ANSIG loop_ _Vendor _Address _Electronic_address Kraulis . . stop_ loop_ _Task 'chemical shift assignment' stop_ save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'data analysis' stop_ save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C,15N_Rac1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C,15N_HR1b save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 7.4 . pH pressure 1 . atm 'ionic strength' 225 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct ? ? ? 1.000000000 DSS C 13 'methyl protons' ppm 0.00 n/a indirect ? ? ? 0.251449530 DSS N 15 'methyl protons' ppm 0.00 n/a 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_1 _Saveframe_category assigned_chemical_shifts loop_ _Experiment_label '3D 1H-13C NOESY' stop_ loop_ _Sample_label $13C,15N_Rac1 $13C,15N_HR1b stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Rac1 loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET H H 7.675 0.0 1 2 1 1 MET HA H 4.319 0.0 1 3 1 1 MET HB2 H 1.866 0.0 2 4 1 1 MET HE H 1.873 0.0 1 5 1 1 MET HG2 H 2.31 0.0 1 6 1 1 MET HG3 H 2.368 0.0 1 7 1 1 MET C C 175.483 0.0 1 8 1 1 MET CA C 55.739 0.0 1 9 1 1 MET CB C 34.043 0.0 1 10 1 1 MET CE C 17.154 0.0 1 11 1 1 MET CG C 31.786 0.0 1 12 1 1 MET N N 119.319 0.0 1 13 2 2 GLN H H 8.202 0.0 1 14 2 2 GLN HA H 4.315 0.0 1 15 2 2 GLN HB2 H 1.88 0.0 1 16 2 2 GLN HB3 H 2.007 0.0 1 17 2 2 GLN HE21 H 6.726 0.0 1 18 2 2 GLN HE22 H 7.554 0.0 1 19 2 2 GLN HG2 H 2.209 0.0 1 20 2 2 GLN HG3 H 2.26 0.0 1 21 2 2 GLN C C 174.301 0.0 1 22 2 2 GLN CA C 55.762 0.0 1 23 2 2 GLN CB C 30.023 0.0 1 24 2 2 GLN CG C 33.727 0.0 1 25 2 2 GLN N N 123.135 0.0 1 26 2 2 GLN NE2 N 110.952 0.0 1 27 3 3 ALA H H 8.594 0.0 1 28 3 3 ALA HA H 5.138 0.0 1 29 3 3 ALA HB H 1.359 0.0 1 30 3 3 ALA C C 177.228 0.0 1 31 3 3 ALA CA C 51.333 0.0 1 32 3 3 ALA CB C 20.2022 0.0 1 33 3 3 ALA N N 128.1 0.0 1 34 4 4 ILE H H 8.387 0.0 1 35 4 4 ILE HA H 4.37 0.0 1 36 4 4 ILE HB H 1.565 0.0 1 37 4 4 ILE HD1 H 0.736 0.0 1 38 4 4 ILE HG12 H 1.053 0.0 1 39 4 4 ILE HG13 H 1.424 0.0 1 40 4 4 ILE HG2 H 0.6680471 0.0 1 41 4 4 ILE C C 173.856 0.0 1 42 4 4 ILE CA C 60.151 0.0 1 43 4 4 ILE CB C 41.808 0.0 1 44 4 4 ILE CD1 C 14.406 0.0 1 45 4 4 ILE CG1 C 28.04 0.0 1 46 4 4 ILE CG2 C 17.56553 0.0 1 47 4 4 ILE N N 122.001 0.0 1 48 5 5 LYS H H 10.484 0.0 1 49 5 5 LYS HA H 5.25002 0.0 1 50 5 5 LYS HB2 H 1.48 0.0 2 51 5 5 LYS HD2 H 1.586 0.0 2 52 5 5 LYS HG2 H 0.6296959 0.0 1 53 5 5 LYS HG3 H 0.857682 0.0 1 54 5 5 LYS C C 174.464 0.0 1 55 5 5 LYS CA C 55.799 0.0 1 56 5 5 LYS CB C 33.164 0.0 1 57 5 5 LYS N N 131.036 0.0 1 58 6 6 CYS H H 9.321 0.0 1 59 6 6 CYS HA H 5.515 0.0 1 60 6 6 CYS HB2 H 2.264 0.0 1 61 6 6 CYS HB3 H 2.915 0.0 1 62 6 6 CYS HG H 1.024 0.0 1 63 6 6 CYS C C 172.549 0.0 1 64 6 6 CYS CA C 55.853 0.0 1 65 6 6 CYS CB C 28.584 0.0 1 66 6 6 CYS N N 130.888 0.0 1 67 7 7 VAL H H 7.503 0.0 1 68 7 7 VAL HA H 4.86 0.0 1 69 7 7 VAL HB H 1.398 0.0 1 70 7 7 VAL HG1 H 0.62 0.0 1 71 7 7 VAL HG2 H 0.9996024 0.0 1 72 7 7 VAL C C 173.932 0.0 1 73 7 7 VAL CA C 60.989 0.0 1 74 7 7 VAL CB C 33.576 0.0 1 75 7 7 VAL CG1 C 23.713 0.0 1 76 7 7 VAL CG2 C 22.28395 0.0 1 77 7 7 VAL N N 128.782 0.0 1 78 8 8 VAL H H 8.18 0.0 1 79 8 8 VAL HA H 4.979 0.0 1 80 8 8 VAL HB H 2.092 0.0 1 81 8 8 VAL HG1 H 0.846 0.0 1 82 8 8 VAL HG2 H 0.9537642 0.0 1 83 8 8 VAL C C 174.418 0.0 1 84 8 8 VAL CA C 60.816 0.0 1 85 8 8 VAL CB C 33.58 0.0 1 86 8 8 VAL CG1 C 22.672 0.0 1 87 8 8 VAL CG2 C 22.335 0.0 1 88 8 8 VAL N N 125.609 0.0 1 89 9 9 VAL H H 8.658 0.0 1 90 9 9 VAL HA H 4.331 0.0 1 91 9 9 VAL HB H 1.793 0.0 1 92 9 9 VAL HG1 H 0.639 0.0 1 93 9 9 VAL HG2 H 1.069 0.0 1 94 9 9 VAL C C 173.726 0.0 1 95 9 9 VAL CA C 58.464 0.0 1 96 9 9 VAL CB C 35.227 0.0 1 97 9 9 VAL CG1 C 20.613 0.0 1 98 9 9 VAL CG2 C 21.511 0.0 1 99 9 9 VAL N N 116.586 0.0 1 100 10 10 GLY H H 6.766 0.0 1 101 10 10 GLY C C 172.344 0.0 1 102 10 10 GLY CA C 43.474 0.0 1 103 10 10 GLY N N 106.764 0.0 1 104 11 11 ASP H H 8.136 0.0 1 105 11 11 ASP HB2 H 2.798 0.0 2 106 11 11 ASP C C 177.509 0.0 1 107 11 11 ASP CA C 56.02 0.0 1 108 11 11 ASP CB C 42.8807 0.0 1 109 11 11 ASP N N 117.193 0.0 1 110 12 12 GLY H H 8.478 0.0 1 111 12 12 GLY HA2 H 3.639 0.0 1 112 12 12 GLY HA3 H 4.365 0.0 1 113 12 12 GLY CA C 46.833 0.0 1 114 12 12 GLY N N 102.739 0.0 1 115 13 13 ALA HA H 3.933 0.0 1 116 13 13 ALA HB H 1.513 0.0 1 117 13 13 ALA CA C 54.316 0.0 1 118 13 13 ALA CB C 18.087 0.0 1 119 14 14 VAL H H 7.23878 0.0 1 120 15 15 GLY H H 8.333 0.0 1 121 15 15 GLY CA C 44.74 0.0 1 122 15 15 GLY N N 107.656 0.0 1 123 16 16 LYS H H 9.386 0.0 1 124 16 16 LYS C C 176.668 0.0 1 125 16 16 LYS CA C 60.656 0.0 1 126 16 16 LYS CB C 29.901 0.0 1 127 17 17 THR H H 9.128 0.0 1 128 17 17 THR HA H 3.886015 0.0 1 129 17 17 THR HB H 4.224 0.0 1 130 17 17 THR HG2 H 1.093 0.0 1 131 17 17 THR C C 177.675 0.0 1 132 17 17 THR CA C 67.077 0.0 1 133 17 17 THR CB C 67.793 0.0 1 134 17 17 THR CG2 C 22.438 0.0 1 135 17 17 THR N N 118.569 0.0 1 136 18 18 CYS H H 9.424 0.0 1 137 18 18 CYS C C 177.028 0.0 1 138 18 18 CYS CA C 65.768 0.0 1 139 18 18 CYS CB C 27.871 0.0 1 140 18 18 CYS N N 119.075 0.0 1 141 19 19 LEU H H 7.933 0.0 1 142 19 19 LEU HA H 3.859 0.0 1 143 19 19 LEU HB2 H 1.715 0.0 1 144 19 19 LEU HB3 H 2.187 0.0 1 145 19 19 LEU HD1 H 0.647 0.0 1 146 19 19 LEU HD2 H 0.692 0.0 1 147 19 19 LEU HG H 1.72 0.0 1 148 19 19 LEU C C 177.428 0.0 1 149 19 19 LEU CA C 59.562 0.0 1 150 19 19 LEU CB C 42.203 0.0 1 151 19 19 LEU CD1 C 26.57626 0.0 1 152 19 19 LEU CD2 C 27.132 0.0 1 153 19 19 LEU CG C 26.541 0.0 1 154 19 19 LEU N N 121.124 0.0 1 155 20 20 LEU H H 7.293 0.0 1 156 20 20 LEU HA H 3.703 0.0 1 157 20 20 LEU HB2 H 1.572 0.0 2 158 20 20 LEU HD1 H 0.786 0.0 2 159 20 20 LEU HG H 1.977 0.0 1 160 20 20 LEU C C 180.74 0.0 1 161 20 20 LEU CA C 57.71 0.0 1 162 20 20 LEU CB C 41.646 0.0 1 163 20 20 LEU CD1 C 24.824 0.0 2 164 20 20 LEU CG C 26.32 0.0 1 165 20 20 LEU N N 116.51 0.0 1 166 21 21 ILE H H 8.771 0.0 1 167 21 21 ILE HD1 H 0.4752095 0.0 1 168 21 21 ILE HG2 H 0.71 0.0 1 169 21 21 ILE C C 179.669 0.0 1 170 21 21 ILE CA C 65.014 0.0 1 171 21 21 ILE CD1 C 13.38975 0.0 1 172 21 21 ILE CG2 C 17.517 0.0 1 173 21 21 ILE N N 121.158 0.0 1 174 22 22 SER H H 8.86 0.0 1 175 22 22 SER HA H 4.2 0.0 1 176 22 22 SER HB2 H 3.956 0.0 2 177 22 22 SER HG H 5.089 0.0 1 178 22 22 SER C C 177.38 0.0 1 179 22 22 SER CA C 61.579 0.0 1 180 22 22 SER CB C 63.932 0.0 1 181 22 22 SER N N 118.94 0.0 1 182 23 23 TYR H H 7.766 0.0 1 183 23 23 TYR HA H 4.121 0.0 1 184 23 23 TYR HB2 H 2.902021 0.0 2 185 23 23 TYR HD1 H 6.232 0.0 3 186 23 23 TYR HE1 H 6.235 0.0 3 187 23 23 TYR C C 177.15 0.0 1 188 23 23 TYR CA C 60.735 0.0 1 189 23 23 TYR CB C 39.38 0.0 1 190 23 23 TYR CD1 C 132.266 0.0 3 191 23 23 TYR CE1 C 118.253 0.0 3 192 23 23 TYR N N 116.749 0.0 1 193 24 24 THR H H 7.643 0.0 1 194 24 24 THR HA H 3.564 0.0 1 195 24 24 THR HB H 4.046236 0.0 1 196 24 24 THR HG1 H 4.188 0.0 1 197 24 24 THR HG2 H 0.999 0.0 1 198 24 24 THR C C 176.794 0.0 1 199 24 24 THR CA C 64.257 0.0 1 200 24 24 THR CB C 69.954 0.0 1 201 24 24 THR CG2 C 23.308 0.0 1 202 24 24 THR N N 104.957 0.0 1 203 25 25 THR H H 8.1 0.0 1 204 25 25 THR HA H 4.497418 0.0 1 205 25 25 THR HB H 4.21 0.0 1 206 25 25 THR HG1 H 4.218 0.0 1 207 25 25 THR HG2 H 1.154 0.0 1 208 25 25 THR C C 175.245 0.0 1 209 25 25 THR CA C 62.11 0.0 1 210 25 25 THR CB C 72.062 0.0 1 211 25 25 THR CG2 C 21.067 0.0 1 212 25 25 THR N N 109.652 0.0 1 213 26 26 ASN H H 7.531 0.0 1 214 26 26 ASN HA H 4.431 0.0 1 215 26 26 ASN HB2 H 2.789 0.0 1 216 26 26 ASN HB3 H 3.041 0.0 1 217 26 26 ASN HD21 H 6.71 0.0 1 218 26 26 ASN HD22 H 7.368 0.0 1 219 26 26 ASN C C 173.085 0.0 1 220 26 26 ASN CA C 55.048 0.0 1 221 26 26 ASN CB C 38.02 0.0 1 222 26 26 ASN N N 116.05 0.0 1 223 26 26 ASN ND2 N 112.28 0.0 1 224 27 27 ALA H H 7.607 0.0 1 225 27 27 ALA HA H 4.426 0.0 1 226 27 27 ALA C C 174.313 0.0 1 227 27 27 ALA CA C 51.364 0.0 1 228 27 27 ALA CB C 21.397 0.0 1 229 27 27 ALA N N 120.359 0.0 1 230 28 28 PHE H H 8.33 0.0 1 231 28 28 PHE HA H 4.724 0.0 1 232 28 28 PHE HB2 H 2.764 0.0 1 233 28 28 PHE HB3 H 3.012 0.0 1 234 28 28 PHE HD1 H 6.811 0.0 3 235 28 28 PHE HE1 H 6.615 0.0 3 236 28 28 PHE C C 175.236 0.0 1 237 28 28 PHE CA C 55.197 0.0 1 238 28 28 PHE CB C 40.315 0.0 1 239 28 28 PHE CD1 C 131.74 0.0 3 240 28 28 PHE CE1 C 130.544 0.0 3 241 28 28 PHE N N 122.723 0.0 1 242 29 29 PRO HD2 H 3.242 0.0 2 243 29 29 PRO HG2 H 2.336 0.0 2 244 29 29 PRO CA C 63.816 0.0 1 245 29 29 PRO CB C 32.111 0.0 1 246 29 29 PRO CD C 51.102 0.0 1 247 29 29 PRO CG C 27.204 0.0 1 248 30 30 GLY H H 8.345 0.0 1 249 30 30 GLY CA C 45.28657 0.0 1 250 30 30 GLY N N 108.5593 0.0 1 251 31 31 GLU H H 8.156 0.0 1 252 31 31 GLU HA H 4.250878 0.0 1 253 31 31 GLU HB2 H 1.866472 0.0 2 254 31 31 GLU HG2 H 2.032 0.0 2 255 31 31 GLU CG C 36.071 0.0 1 256 31 31 GLU N N 121.295 0.0 1 257 32 32 TYR HB2 H 2.786 0.0 1 258 32 32 TYR HB3 H 2.9 0.0 1 259 32 32 TYR HD1 H 6.966 0.0 3 260 32 32 TYR HE1 H 6.701 0.0 3 261 32 32 TYR CD1 C 133.069 0.0 3 262 32 32 TYR CE1 C 118.062 0.0 3 263 33 33 ILE HA H 4.182 0.0 1 264 33 33 ILE HB H 1.551999 0.0 1 265 33 33 ILE HD1 H 0.637 0.0 1 266 33 33 ILE HG12 H 0.71 0.0 1 267 33 33 ILE HG13 H 1.263 0.0 1 268 33 33 ILE HG2 H 0.745 0.0 1 269 33 33 ILE CA C 57.773 0.0 1 270 33 33 ILE CB C 39.55 0.0 1 271 33 33 ILE CD1 C 13.445 0.0 1 272 33 33 ILE CG1 C 27.306 0.0 1 273 33 33 ILE CG2 C 17.604 0.0 1 274 34 34 PRO HD2 H 3.484 0.0 1 275 34 34 PRO CD C 50.312 0.0 1 276 36 36 VAL HB H 1.731 0.0 1 277 36 36 VAL HG1 H 0.6256085 0.0 1 278 36 36 VAL HG2 H 0.6239656 0.0 1 279 36 36 VAL CB C 33.50074 0.0 1 280 36 36 VAL CG1 C 20.22027 0.0 1 281 36 36 VAL CG2 C 21.44504 0.0 1 282 37 37 PHE HD1 H 7.13627 0.0 3 283 37 37 PHE CD1 C 131.136 0.0 3 284 40 40 TYR HD1 H 6.827 0.0 3 285 40 40 TYR HE1 H 6.536 0.0 3 286 40 40 TYR CD1 C 133.087 0.0 3 287 40 40 TYR CE1 C 117.741 0.0 3 288 41 41 SER HA H 5.433 0.0 1 289 41 41 SER HB2 H 3.568 0.0 1 290 41 41 SER HB3 H 3.651 0.0 1 291 41 41 SER C C 172.583 0.0 1 292 41 41 SER CA C 57.291 0.0 1 293 41 41 SER CB C 65.602 0.0 1 294 42 42 ALA H H 8.794 0.0 1 295 42 42 ALA HA H 4.483 0.0 1 296 42 42 ALA HB H 1.131 0.0 1 297 42 42 ALA C C 174.746 0.0 1 298 42 42 ALA CA C 51.056 0.0 1 299 42 42 ALA CB C 22.419 0.0 1 300 42 42 ALA N N 124.332 0.0 1 301 43 43 ASN H H 8.497 0.0 1 302 43 43 ASN HA H 5.496 0.0 1 303 43 43 ASN HB2 H 2.267 0.0 1 304 43 43 ASN HB3 H 2.48 0.0 1 305 43 43 ASN HD21 H 6.443 0.0 1 306 43 43 ASN HD22 H 7.174 0.0 1 307 43 43 ASN C C 174.531 0.0 1 308 43 43 ASN CA C 52.589 0.0 1 309 43 43 ASN CB C 38.855 0.0 1 310 43 43 ASN N N 121.005 0.0 1 311 43 43 ASN ND2 N 110.58 0.0 1 312 44 44 VAL H H 8.935 0.0 1 313 44 44 VAL HA H 4.406 0.0 1 314 44 44 VAL HB H 1.884 0.0 1 315 44 44 VAL HG1 H 0.766 0.0 1 316 44 44 VAL HG2 H 0.802 0.0 1 317 44 44 VAL C C 173.924 0.0 1 318 44 44 VAL CA C 60.307 0.0 1 319 44 44 VAL CB C 35.835 0.0 1 320 44 44 VAL CG1 C 20.333 0.0 1 321 44 44 VAL CG2 C 21.44 0.0 1 322 44 44 VAL N N 122.258 0.0 1 323 45 45 MET H H 8.38 0.0 1 324 45 45 MET HA H 5.074 0.0 1 325 45 45 MET HB2 H 1.75 0.0 1 326 45 45 MET HB3 H 1.823 0.0 1 327 45 45 MET HE H 1.748 0.0 1 328 45 45 MET HG2 H 2.221791 0.0 1 329 45 45 MET HG3 H 2.274 0.0 1 330 45 45 MET C C 176.144 0.0 1 331 45 45 MET CA C 53.724 0.0 1 332 45 45 MET CB C 33.189 0.0 1 333 45 45 MET CE C 16.497 0.0 1 334 45 45 MET CG C 31.786 0.0 1 335 45 45 MET N N 122.977 0.0 1 336 46 46 VAL H H 8.679 0.0 1 337 46 46 VAL HA H 4.101 0.0 1 338 46 46 VAL HB H 1.745 0.0 1 339 46 46 VAL HG1 H 0.713 0.0 1 340 46 46 VAL HG2 H 0.821 0.0 1 341 46 46 VAL C C 175.118 0.0 1 342 46 46 VAL CA C 61.501 0.0 1 343 46 46 VAL CB C 34.39738 0.0 1 344 46 46 VAL CG1 C 20.836 0.0 1 345 46 46 VAL CG2 C 17.49 0.0 1 346 46 46 VAL N N 125.627 0.0 1 347 47 47 ASP H H 9.196 0.0 1 348 47 47 ASP HA H 4.13 0.0 1 349 47 47 ASP HB2 H 2.577258 0.0 1 350 47 47 ASP HB3 H 2.778593 0.0 1 351 47 47 ASP C C 176.181 0.0 1 352 47 47 ASP CA C 55.3066 0.0 1 353 47 47 ASP CB C 39.181 0.0 1 354 47 47 ASP N N 127 0.0 1 355 48 48 GLY H H 8.425 0.0 1 356 48 48 GLY HA2 H 3.494 0.0 1 357 48 48 GLY HA3 H 4.055 0.0 1 358 48 48 GLY C C 173.625 0.0 1 359 48 48 GLY CA C 45.324 0.0 1 360 48 48 GLY N N 101.975 0.0 1 361 49 49 LYS H H 7.936 0.0 1 362 49 49 LYS HA H 4.805 0.0 1 363 49 49 LYS HB2 H 1.718 0.0 1 364 49 49 LYS HB3 H 1.767 0.0 1 365 49 49 LYS HD2 H 1.566 0.0 1 366 49 49 LYS HD3 H 1.615 0.0 1 367 49 49 LYS HE2 H 2.956 0.0 2 368 49 49 LYS HG2 H 1.313 0.0 2 369 49 49 LYS C C 173.54 0.0 1 370 49 49 LYS CA C 52.616 0.0 1 371 49 49 LYS CB C 33.31556 0.0 1 372 49 49 LYS CD C 29.089 0.0 1 373 49 49 LYS CE C 42.254 0.0 1 374 49 49 LYS CG C 24.48 0.0 1 375 49 49 LYS N N 121.892 0.0 1 376 50 50 PRO HA H 4.801 0.0 1 377 50 50 PRO HB2 H 1.80801 0.0 2 378 50 50 PRO HD2 H 3.599427 0.0 1 379 50 50 PRO HD3 H 3.651547 0.0 1 380 50 50 PRO C C 176.712 0.0 1 381 50 50 PRO CA C 62.383 0.0 1 382 50 50 PRO CB C 32.09829 0.0 1 383 50 50 PRO CD C 50.25133 0.0 1 384 51 51 VAL H H 9.083 0.0 1 385 51 51 VAL HA H 4.487 0.0 1 386 51 51 VAL HB H 1.941 0.0 1 387 51 51 VAL HG1 H 0.755 0.0 1 388 51 51 VAL HG2 H 0.799 0.0 1 389 51 51 VAL C C 174.227 0.0 1 390 51 51 VAL CA C 60.721 0.0 1 391 51 51 VAL CB C 35.849 0.0 1 392 51 51 VAL CG1 C 21.4 0.0 1 393 51 51 VAL CG2 C 21.349 0.0 1 394 51 51 VAL N N 122.914 0.0 1 395 52 52 ASN H H 8.573 0.0 1 396 52 52 ASN HA H 5.127 0.0 1 397 52 52 ASN HB2 H 2.618 0.0 1 398 52 52 ASN HB3 H 2.681026 0.0 1 399 52 52 ASN HD21 H 6.575 0.0 1 400 52 52 ASN HD22 H 7.345 0.0 1 401 52 52 ASN C C 173.355 0.0 1 402 52 52 ASN CA C 52.422 0.0 1 403 52 52 ASN CB C 39.542 0.0 1 404 52 52 ASN CG C 176.507 0.0 1 405 52 52 ASN N N 123.85 0.0 1 406 52 52 ASN ND2 N 109.8431 0.0 1 407 53 53 LEU H H 9.137 0.0 1 408 53 53 LEU HA H 4.701 0.0 1 409 53 53 LEU HB2 H 1.136 0.0 1 410 53 53 LEU HB3 H 2.09 0.0 1 411 53 53 LEU HD1 H 0.762 0.0 1 412 53 53 LEU HD2 H 0.8963309 0.0 1 413 53 53 LEU HG H 1.383 0.0 1 414 53 53 LEU C C 174.169 0.0 1 415 53 53 LEU CA C 54.09009 0.0 1 416 53 53 LEU CB C 44.077 0.0 1 417 53 53 LEU CD1 C 23.536 0.0 1 418 53 53 LEU CD2 C 26.80015 0.0 1 419 53 53 LEU CG C 27.174 0.0 1 420 53 53 LEU N N 128.902 0.0 1 421 54 54 GLY H H 9.47 0.0 1 422 54 54 GLY HA2 H 3.67 0.0 2 423 54 54 GLY C C 172.592 0.0 1 424 54 54 GLY CA C 45.379 0.0 1 425 54 54 GLY N N 116.315 0.0 1 426 55 55 LEU H H 8.769 0.0 1 427 55 55 LEU HA H 5.215 0.0 1 428 55 55 LEU HB2 H 1.321 0.0 2 429 55 55 LEU HD1 H 0.579 0.0 1 430 55 55 LEU HD2 H 0.808 0.0 1 431 55 55 LEU HG H 1.497 0.0 1 432 55 55 LEU C C 175.264 0.0 1 433 55 55 LEU CA C 53.72 0.0 1 434 55 55 LEU CB C 44.436 0.0 1 435 55 55 LEU CD1 C 25.43 0.0 1 436 55 55 LEU CD2 C 24.83 0.0 1 437 55 55 LEU CG C 26.592 0.0 1 438 55 55 LEU N N 125.576 0.0 1 439 56 56 TRP H H 9.309 0.0 1 440 56 56 TRP HA H 5.585951 0.0 1 441 56 56 TRP HB2 H 3.282 0.0 2 442 56 56 TRP HD1 H 7.193 0.0 1 443 56 56 TRP HE1 H 10.479 0.0 1 444 56 56 TRP HH2 H 7.015 0.0 1 445 56 56 TRP HZ2 H 7.338 0.0 1 446 56 56 TRP CA C 57.107 0.0 1 447 56 56 TRP CD1 C 126.151 0.0 1 448 56 56 TRP CH2 C 124.154 0.0 1 449 56 56 TRP CZ2 C 114.399 0.0 1 450 56 56 TRP N N 126.59 0.0 1 451 56 56 TRP NE1 N 129.5261 0.0 1 452 57 57 ASP HB2 H 2.377402 0.0 2 453 58 58 THR H H 6.266 0.0 1 454 59 59 ALA HA H 4.246 0.0 1 455 59 59 ALA HB H 1.285 0.0 1 456 59 59 ALA CA C 52.391 0.0 1 457 59 59 ALA CB C 19.329 0.0 1 458 60 60 GLY H H 8.296 0.0 1 459 60 60 GLY N N 107.959 0.0 1 460 61 61 LEU H H 8.024 0.0 1 461 61 61 LEU HA H 4.435 0.0 1 462 61 61 LEU HB2 H 1.808 0.0 1 463 61 61 LEU HB3 H 1.985 0.0 1 464 61 61 LEU HD1 H 0.997 0.0 1 465 61 61 LEU HD2 H 1.059 0.0 1 466 61 61 LEU HG H 1.929 0.0 1 467 61 61 LEU C C 179.247 0.0 1 468 61 61 LEU CA C 55.619 0.0 1 469 61 61 LEU CB C 42.804 0.0 1 470 61 61 LEU CD1 C 23.441 0.0 1 471 61 61 LEU CD2 C 25.16 0.0 1 472 61 61 LEU CG C 27.794 0.0 1 473 62 62 GLU H H 8.968 0.0 1 474 62 62 GLU HA H 4.151 0.0 1 475 62 62 GLU HB2 H 1.987 0.0 1 476 62 62 GLU HB3 H 2.046 0.0 1 477 62 62 GLU HG2 H 2.262 0.0 2 478 62 62 GLU C C 178.302 0.0 1 479 62 62 GLU CA C 58.102 0.0 1 480 62 62 GLU CB C 29.271 0.0 1 481 62 62 GLU CG C 36.071 0.0 1 482 62 62 GLU N N 121.277 0.0 1 483 63 63 ASP H H 8.282 0.0 1 484 63 63 ASP HB2 H 1.731668 0.0 1 485 63 63 ASP C C 176.947 0.0 1 486 63 63 ASP CA C 55.91 0.0 1 487 63 63 ASP CB C 40.198 0.0 1 488 63 63 ASP N N 117.44 0.0 1 489 64 64 TYR H H 7.721 0.0 1 490 64 64 TYR HA H 4.198 0.0 1 491 64 64 TYR HD1 H 7.019 0.0 3 492 64 64 TYR HE1 H 6.781 0.0 3 493 64 64 TYR CD1 C 133.081 0.0 3 494 64 64 TYR CE1 C 118.221 0.0 3 495 65 65 ASP H H 8.041817 0.0 1 496 66 66 ARG HA H 4.083 0.0 1 497 66 66 ARG HD2 H 3.118 0.0 2 498 66 66 ARG CA C 58.098 0.0 1 499 66 66 ARG CD C 43.375 0.0 1 500 67 67 LEU H H 7.327152 0.0 1 501 67 67 LEU HA H 4.322 0.0 1 502 67 67 LEU HB2 H 1.61 0.0 2 503 67 67 LEU HD1 H 0.8106109 0.0 1 504 67 67 LEU HD2 H 0.8842775 0.0 1 505 67 67 LEU CA C 55.318 0.0 1 506 67 67 LEU CB C 43.752 0.0 1 507 67 67 LEU CD1 C 24.159 0.0 1 508 67 67 LEU CD2 C 25.29 0.0 1 509 69 69 PRO C C 178.499 0.0 1 510 69 69 PRO CA C 63.744 0.0 1 511 69 69 PRO CB C 30.212 0.0 1 512 70 70 LEU H H 7.444 0.0 1 513 70 70 LEU HA H 3.943 0.0 1 514 70 70 LEU HB2 H 1.496 0.0 1 515 70 70 LEU HB3 H 1.765 0.0 1 516 70 70 LEU HD1 H 0.7806277 0.0 1 517 70 70 LEU HD2 H 0.895 0.0 1 518 70 70 LEU HG H 1.685 0.0 1 519 70 70 LEU C C 179.072 0.0 1 520 70 70 LEU CA C 57.265 0.0 1 521 70 70 LEU CB C 40.665 0.0 1 522 70 70 LEU CD1 C 22.941 0.0 1 523 70 70 LEU CD2 C 25.425 0.0 1 524 70 70 LEU CG C 27.784 0.0 1 525 70 70 LEU N N 118.12 0.0 1 526 71 71 SER H H 7.864 0.0 1 527 71 71 SER HA H 4.252 0.0 1 528 71 71 SER HB2 H 3.836 0.0 1 529 71 71 SER HB3 H 3.929 0.0 1 530 71 71 SER C C 174.408 0.0 1 531 71 71 SER CA C 60.483 0.0 1 532 71 71 SER CB C 64.065 0.0 1 533 71 71 SER N N 111.643 0.0 1 534 72 72 TYR H H 7.105 0.0 1 535 72 72 TYR HB2 H 3.154 0.0 1 536 72 72 TYR HB3 H 3.433 0.0 1 537 72 72 TYR HD1 H 6.803 0.0 3 538 72 72 TYR HE1 H 6.568 0.0 3 539 72 72 TYR C C 174.452 0.0 1 540 72 72 TYR CA C 56.376 0.0 1 541 72 72 TYR CB C 35.54 0.0 1 542 72 72 TYR CD1 C 131.511 0.0 3 543 72 72 TYR CE1 C 117.533 0.0 3 544 72 72 TYR N N 119.588 0.0 1 545 73 73 PRO CA C 65.97876 0.0 1 546 74 74 GLN H H 8.899 0.0 1 547 74 74 GLN HA H 3.695 0.0 1 548 74 74 GLN HB2 H 2.125 0.0 2 549 74 74 GLN HE21 H 6.757 0.0 1 550 74 74 GLN HE22 H 7.469709 0.0 1 551 74 74 GLN HG2 H 2.099 0.0 1 552 74 74 GLN HG3 H 2.192 0.0 1 553 74 74 GLN C C 175.112 0.0 1 554 74 74 GLN CA C 57.206 0.0 1 555 74 74 GLN CB C 25.786 0.0 1 556 74 74 GLN CG C 34.902 0.0 1 557 74 74 GLN N N 114.436 0.0 1 558 74 74 GLN NE2 N 111.688 0.0 1 559 75 75 THR H H 7.338 0.0 1 560 75 75 THR HA H 3.008 0.0 1 561 75 75 THR HB H 3.485 0.0 1 562 75 75 THR HG1 H 5.518 0.0 1 563 75 75 THR HG2 H -0.033 0.0 1 564 75 75 THR C C 173.974 0.0 1 565 75 75 THR CA C 66.977 0.0 1 566 75 75 THR CB C 67.865 0.0 1 567 75 75 THR CG2 C 23.223 0.0 1 568 75 75 THR N N 116.621 0.0 1 569 76 76 ASP H H 8.705 0.0 1 570 76 76 ASP HA H 4.695 0.0 1 571 76 76 ASP HB2 H 2.656729 0.0 2 572 76 76 ASP C C 174.739 0.0 1 573 76 76 ASP CA C 56.514 0.0 1 574 76 76 ASP CB C 44.104 0.0 1 575 76 76 ASP N N 123.589 0.0 1 576 77 77 VAL H H 7.377 0.0 1 577 77 77 VAL HA H 4.441 0.0 1 578 77 77 VAL HB H 2.049 0.0 1 579 77 77 VAL HG1 H 0.569 0.0 1 580 77 77 VAL HG2 H 0.774 0.0 1 581 77 77 VAL C C 171.238 0.0 1 582 77 77 VAL CA C 60.351 0.0 1 583 77 77 VAL CB C 32.647 0.0 1 584 77 77 VAL CG1 C 17.39 0.0 1 585 77 77 VAL CG2 C 20.167 0.0 1 586 77 77 VAL N N 116.053 0.0 1 587 78 78 PHE H H 8.491 0.0 1 588 78 78 PHE HA H 5.313 0.0 1 589 78 78 PHE HB2 H 2.629 0.0 1 590 78 78 PHE HB3 H 2.711 0.0 1 591 78 78 PHE HD1 H 6.829 0.0 3 592 78 78 PHE CA C 57.178 0.0 1 593 78 78 PHE CB C 43.313 0.0 1 594 78 78 PHE CD1 C 132.033 0.0 3 595 78 78 PHE N N 122.723 0.0 1 596 79 79 LEU H H 8.836 0.0 1 597 79 79 LEU HA H 5.119 0.0 1 598 79 79 LEU HB2 H 0.931 0.0 1 599 79 79 LEU HB3 H 1.681 0.0 1 600 79 79 LEU HD1 H 0.219 0.0 1 601 79 79 LEU HD2 H 0.282 0.0 1 602 79 79 LEU HG H 1.187 0.0 1 603 79 79 LEU CA C 53.169 0.0 1 604 79 79 LEU CB C 41.595 0.0 1 605 79 79 LEU CD1 C 25.482 0.0 1 606 79 79 LEU CD2 C 23.396 0.0 1 607 79 79 LEU CG C 27.03 0.0 1 608 79 79 LEU N N 118.907 0.0 1 609 80 80 ILE H H 8.516 0.0 1 610 80 80 ILE HA H 4.418 0.0 1 611 80 80 ILE HB H 1.573 0.0 1 612 80 80 ILE HD1 H 0.7591192 0.0 1 613 80 80 ILE HG2 H 0.799 0.0 1 614 80 80 ILE CA C 61.109 0.0 1 615 80 80 ILE CB C 38.251 0.0 1 616 80 80 ILE CD1 C 13.63905 0.0 1 617 80 80 ILE CG2 C 18.756 0.0 1 618 80 80 ILE N N 121.667 0.0 1 619 81 81 CYS H H 8.861 0.0 1 620 81 81 CYS HA H 5.767 0.0 1 621 81 81 CYS HB2 H 2.134 0.0 1 622 81 81 CYS HB3 H 2.373 0.0 1 623 81 81 CYS HG H 1.375 0.0 1 624 81 81 CYS CA C 56.841 0.0 1 625 81 81 CYS CB C 30.742 0.0 1 626 81 81 CYS N N 123.471 0.0 1 627 82 82 PHE H H 8.875 0.0 1 628 82 82 PHE HA H 4.632 0.0 1 629 82 82 PHE HB2 H 2.836 0.0 1 630 82 82 PHE HB3 H 3.072 0.0 1 631 82 82 PHE HD1 H 6.787 0.0 3 632 82 82 PHE HE1 H 7.112 0.0 3 633 82 82 PHE C C 171.069 0.0 1 634 82 82 PHE CA C 56.272 0.0 1 635 82 82 PHE CB C 40.769 0.0 1 636 82 82 PHE CD1 C 131.946 0.0 3 637 82 82 PHE CE1 C 132.538 0.0 3 638 82 82 PHE N N 118.383 0.0 1 639 83 83 SER H H 8.303 0.0 1 640 83 83 SER HA H 5.134 0.0 1 641 83 83 SER HB2 H 3.93 0.0 2 642 83 83 SER C C 177.128 0.0 1 643 83 83 SER CA C 54.474 0.0 1 644 83 83 SER CB C 63.961 0.0 1 645 83 83 SER N N 113.641 0.0 1 646 84 84 LEU H H 8.883 0.0 1 647 84 84 LEU HA H 4.014 0.0 1 648 84 84 LEU HB2 H 1.477 0.0 2 649 84 84 LEU HD1 H 0.512 0.0 1 650 84 84 LEU HD2 H 1.012852 0.0 1 651 84 84 LEU HG H 1.456 0.0 1 652 84 84 LEU C C 176.708 0.0 1 653 84 84 LEU CA C 57.604 0.0 1 654 84 84 LEU CB C 42.753 0.0 1 655 84 84 LEU CD1 C 26.005 0.0 1 656 84 84 LEU CD2 C 23.416 0.0 1 657 84 84 LEU CG C 27.201 0.0 1 658 84 84 LEU N N 127.934 0.0 1 659 85 85 VAL H H 7.394 0.0 1 660 85 85 VAL HA H 4.364 0.0 1 661 85 85 VAL HB H 2.395 0.0 1 662 85 85 VAL HG1 H 0.5675426 0.0 1 663 85 85 VAL HG2 H 0.612 0.0 1 664 85 85 VAL C C 173.828 0.0 1 665 85 85 VAL CA C 59.329 0.0 1 666 85 85 VAL CB C 30.201 0.0 1 667 85 85 VAL CG1 C 21.223 0.0 1 668 85 85 VAL CG2 C 18.196 0.0 1 669 85 85 VAL N N 103.055 0.0 1 670 86 86 SER H H 7.712 0.0 1 671 86 86 SER HA H 5.086 0.0 1 672 86 86 SER HB2 H 3.775 0.0 1 673 86 86 SER HB3 H 3.984 0.0 1 674 86 86 SER HG H 6.12 0.0 1 675 86 86 SER C C 172.911 0.0 1 676 86 86 SER CA C 53.955 0.0 1 677 86 86 SER CB C 63.008 0.0 1 678 86 86 SER N N 111.821 0.0 1 679 87 87 PRO HA H 4.258 0.0 1 680 87 87 PRO HB2 H 2.596 0.0 2 681 87 87 PRO HD2 H 3.465 0.0 1 682 87 87 PRO HD3 H 3.949383 0.0 1 683 87 87 PRO HG2 H 2.042 0.0 1 684 87 87 PRO HG3 H 2.182273 0.0 1 685 87 87 PRO CA C 65.6063 0.0 1 686 87 87 PRO CD C 50.40145 0.0 1 687 87 87 PRO CG C 28.51436 0.0 1 688 88 88 ALA HA H 4.171 0.0 1 689 88 88 ALA HB H 1.371 0.0 1 690 88 88 ALA C C 180.118 0.0 1 691 88 88 ALA CA C 55.548 0.0 1 692 88 88 ALA CB C 18.357 0.0 1 693 89 89 SER H H 7.994 0.0 1 694 89 89 SER HA H 4.982 0.0 1 695 89 89 SER HB2 H 4.338 0.0 2 696 89 89 SER HG H 6.111 0.0 1 697 89 89 SER C C 176.379 0.0 1 698 89 89 SER CA C 61.272 0.0 1 699 89 89 SER CB C 64 0.0 1 700 89 89 SER N N 115.412 0.0 1 701 90 90 PHE H H 7.433 0.0 1 702 90 90 PHE HA H 4.312 0.0 1 703 90 90 PHE HB2 H 2.768864 0.0 1 704 90 90 PHE HB3 H 3.262 0.0 1 705 90 90 PHE HD1 H 6.249 0.0 3 706 90 90 PHE HE1 H 6.676 0.0 3 707 90 90 PHE HZ H 6.919 0.0 1 708 90 90 PHE C C 177.359 0.0 1 709 90 90 PHE CA C 59.184 0.0 1 710 90 90 PHE CB C 39.60029 0.0 1 711 90 90 PHE CD1 C 132.41 0.0 3 712 90 90 PHE CE1 C 130.555 0.0 3 713 90 90 PHE N N 125.031 0.0 1 714 91 91 GLU H H 8.169 0.0 1 715 91 91 GLU HA H 3.708 0.0 1 716 91 91 GLU HB2 H 1.946 0.0 1 717 91 91 GLU HB3 H 2.02 0.0 1 718 91 91 GLU HG2 H 2.279 0.0 2 719 91 91 GLU C C 180.144 0.0 1 720 91 91 GLU CA C 58.961 0.0 1 721 91 91 GLU CB C 28.885 0.0 1 722 91 91 GLU CG C 35.583 0.0 1 723 91 91 GLU N N 118.926 0.0 1 724 92 92 ASN H H 7.881 0.0 1 725 92 92 ASN HA H 4.809 0.0 1 726 92 92 ASN HB2 H 2.813 0.0 1 727 92 92 ASN HB3 H 3.237 0.0 1 728 92 92 ASN HD21 H 6.633 0.0 1 729 92 92 ASN HD22 H 10.265 0.0 1 730 92 92 ASN C C 178.567 0.0 1 731 92 92 ASN CA C 54.473 0.0 1 732 92 92 ASN CB C 38.155 0.0 1 733 92 92 ASN N N 114.244 0.0 1 734 92 92 ASN ND2 N 116.194 0.0 1 735 93 93 VAL H H 8.057 0.0 1 736 93 93 VAL HA H 3.668 0.0 1 737 93 93 VAL HB H 2.338 0.0 1 738 93 93 VAL HG1 H 0.799 0.0 1 739 93 93 VAL HG2 H 1.222 0.0 1 740 93 93 VAL C C 175.292 0.0 1 741 93 93 VAL CA C 68.8 0.0 1 742 93 93 VAL CB C 31.048 0.0 1 743 93 93 VAL CG1 C 21.695 0.0 1 744 93 93 VAL CG2 C 22.938 0.0 1 745 93 93 VAL N N 124.573 0.0 1 746 94 94 ARG H H 6.346 0.0 1 747 94 94 ARG HA H 4.006 0.0 1 748 94 94 ARG HB2 H 1.661 0.0 1 749 94 94 ARG HB3 H 2.291 0.0 1 750 94 94 ARG HD2 H 2.940138 0.0 1 751 94 94 ARG HD3 H 3.108 0.0 1 752 94 94 ARG HG2 H 1.36 0.0 2 753 94 94 ARG C C 177.068 0.0 1 754 94 94 ARG CA C 57.972 0.0 1 755 94 94 ARG CB C 30.879 0.0 1 756 94 94 ARG CD C 43.528 0.0 1 757 94 94 ARG CG C 26.92 0.0 1 758 94 94 ARG N N 114.636 0.0 1 759 95 95 ALA H H 7.808 0.0 1 760 95 95 ALA HA H 4.065382 0.0 1 761 95 95 ALA HB H 1.368 0.0 1 762 95 95 ALA C C 177.492 0.0 1 763 95 95 ALA CA C 54.113 0.0 1 764 95 95 ALA CB C 19.689 0.0 1 765 95 95 ALA N N 116.97 0.0 1 766 96 96 LYS H H 7.978 0.0 1 767 96 96 LYS HA H 4.22 0.0 1 768 96 96 LYS HB2 H 0.948 0.0 1 769 96 96 LYS HB3 H 1.172155 0.0 1 770 96 96 LYS HD2 H 0.629 0.0 1 771 96 96 LYS HD3 H 0.851 0.0 1 772 96 96 LYS HE2 H 2.136 0.0 2 773 96 96 LYS HG2 H -0.278 0.0 1 774 96 96 LYS HG3 H 0.505 0.0 1 775 96 96 LYS C C 177.408 0.0 1 776 96 96 LYS CA C 57.473 0.0 1 777 96 96 LYS CB C 35.521 0.0 1 778 96 96 LYS CD C 29.325 0.0 1 779 96 96 LYS CE C 41.645 0.0 1 780 96 96 LYS CG C 24.814 0.0 1 781 96 96 LYS N N 114.682 0.0 1 782 97 97 TRP H H 7.829 0.0 1 783 97 97 TRP HA H 4.336 0.0 1 784 97 97 TRP HB2 H 3.042 0.0 1 785 97 97 TRP HD1 H 6.704 0.0 1 786 97 97 TRP HE1 H 11.589 0.0 1 787 97 97 TRP HZ2 H 7.581 0.0 1 788 97 97 TRP CA C 60.645 0.0 1 789 97 97 TRP CB C 31.209 0.0 1 790 97 97 TRP CD1 C 126.227 0.0 1 791 97 97 TRP CZ2 C 116.245 0.0 1 792 97 97 TRP N N 120.662 0.0 1 793 97 97 TRP NE1 N 133.265 0.0 1 794 98 98 TYR H H 9.008 0.0 1 795 98 98 TYR HA H 4.308 0.0 1 796 98 98 TYR HB2 H 2.832 0.0 1 797 98 98 TYR HB3 H 3.268 0.0 1 798 98 98 TYR HD1 H 6.866 0.0 3 799 98 98 TYR HE1 H 6.714 0.0 3 800 98 98 TYR CA C 61.766 0.0 1 801 98 98 TYR CB C 36.434 0.0 1 802 98 98 TYR CD1 C 132.581 0.0 3 803 98 98 TYR CE1 C 119.446 0.0 3 804 98 98 TYR N N 117.171 0.0 1 805 99 99 PRO HA H 3.756 0.0 1 806 99 99 PRO HB2 H 1.503 0.0 1 807 99 99 PRO HB3 H 1.989 0.0 1 808 99 99 PRO HD2 H 3.588 0.0 1 809 99 99 PRO HG2 H 1.712801 0.0 1 810 99 99 PRO HG3 H 1.777713 0.0 1 811 99 99 PRO C C 178.964 0.0 1 812 99 99 PRO CA C 65.675 0.0 1 813 99 99 PRO CB C 30.203 0.0 1 814 99 99 PRO CG C 27.97709 0.0 1 815 100 100 GLU H H 7.498 0.0 1 816 100 100 GLU HA H 4.08 0.0 1 817 100 100 GLU HB2 H 2.07 0.0 1 818 100 100 GLU HB3 H 2.338 0.0 1 819 100 100 GLU HG2 H 2.426 0.0 2 820 100 100 GLU C C 178.275 0.0 1 821 100 100 GLU CA C 60.651 0.0 1 822 100 100 GLU CB C 30.17 0.0 1 823 100 100 GLU CG C 36.461 0.0 1 824 100 100 GLU N N 117.66 0.0 1 825 101 101 VAL H H 8.308 0.0 1 826 101 101 VAL HA H 2.996 0.0 1 827 101 101 VAL HB H 1.392 0.0 1 828 101 101 VAL HG1 H -0.257 0.0 1 829 101 101 VAL HG2 H 0.373 0.0 1 830 101 101 VAL C C 178.302 0.0 1 831 101 101 VAL CA C 66.53 0.0 1 832 101 101 VAL CB C 30.7 0.0 1 833 101 101 VAL CG1 C 20.399 0.0 1 834 101 101 VAL CG2 C 21.898 0.0 1 835 101 101 VAL N N 116.441 0.0 1 836 102 102 ARG H H 7.93 0.0 1 837 102 102 ARG HA H 3.663 0.0 1 838 102 102 ARG HB2 H 1.424 0.0 2 839 102 102 ARG HG2 H 0.796 0.0 1 840 102 102 ARG HG3 H 1.198428 0.0 1 841 102 102 ARG C C 177.731 0.0 1 842 102 102 ARG CA C 57.239 0.0 1 843 102 102 ARG CB C 28.774 0.0 1 844 102 102 ARG N N 116.059 0.0 1 845 103 103 HIS H H 7.664 0.0 1 846 103 103 HIS HA H 3.965 0.0 1 847 103 103 HIS HB2 H 3.006 0.0 2 848 103 103 HIS HD2 H 5.461 0.0 1 849 103 103 HIS C C 176.45 0.0 1 850 103 103 HIS CA C 59.08 0.0 1 851 103 103 HIS CB C 30.035 0.0 1 852 103 103 HIS N N 117.596 0.0 1 853 104 104 HIS H H 6.89 0.0 1 854 104 104 HIS HA H 4.189 0.0 1 855 104 104 HIS HB2 H 2.97 0.0 1 856 104 104 HIS HB3 H 3.41 0.0 1 857 104 104 HIS C C 176.907 0.0 1 858 104 104 HIS CA C 58.955 0.0 1 859 104 104 HIS CB C 34.121 0.0 1 860 104 104 HIS N N 113.428 0.0 1 861 105 105 CYS H H 8.756 0.0 1 862 105 105 CYS HA H 4.894 0.0 1 863 105 105 CYS HB2 H 2.729 0.0 1 864 105 105 CYS HB3 H 3.481 0.0 1 865 105 105 CYS C C 172.757 0.0 1 866 105 105 CYS CA C 56.595 0.0 1 867 105 105 CYS CB C 28.977 0.0 1 868 105 105 CYS N N 117.65 0.0 1 869 106 106 PRO HD2 H 3.231 0.0 1 870 106 106 PRO CA C 65.10617 0.0 1 871 107 107 ASN H H 8.649243 0.0 1 872 107 107 ASN HA H 4.895 0.0 1 873 107 107 ASN HB2 H 2.591 0.0 1 874 107 107 ASN HB3 H 2.901 0.0 1 875 107 107 ASN HD21 H 6.929 0.0 1 876 107 107 ASN HD22 H 7.586 0.0 1 877 107 107 ASN CA C 52.971 0.0 1 878 107 107 ASN CB C 40.185 0.0 1 879 107 107 ASN N N 111.951 0.0 1 880 107 107 ASN ND2 N 113.543 0.0 1 881 108 108 THR H H 6.983 0.0 1 882 108 108 THR HA H 4.479 0.0 1 883 108 108 THR HB H 4.227 0.0 1 884 108 108 THR HG2 H 1.259 0.0 1 885 108 108 THR CA C 62.297 0.0 1 886 108 108 THR CB C 70.79377 0.0 1 887 108 108 THR CG2 C 22.372 0.0 1 888 108 108 THR N N 119.596 0.0 1 889 109 109 PRO HA H 4.439 0.0 1 890 109 109 PRO HB2 H 1.733 0.0 1 891 109 109 PRO HB3 H 2.331 0.0 1 892 109 109 PRO HD2 H 3.848 0.0 1 893 109 109 PRO HD3 H 4.179 0.0 1 894 109 109 PRO HG2 H 1.997854 0.0 2 895 109 109 PRO CA C 63.53 0.0 1 896 109 109 PRO CB C 32.991 0.0 1 897 109 109 PRO CD C 51.676 0.0 1 898 109 109 PRO CG C 27.53638 0.0 1 899 110 110 ILE H H 8.561 0.0 1 900 110 110 ILE HA H 4.838 0.0 1 901 110 110 ILE HB H 1.406 0.0 1 902 110 110 ILE HD1 H 0.831 0.0 1 903 110 110 ILE HG12 H 1.411 0.0 1 904 110 110 ILE HG13 H 1.859 0.0 1 905 110 110 ILE HG2 H 0.752 0.0 1 906 110 110 ILE CA C 59.747 0.0 1 907 110 110 ILE CB C 43.573 0.0 1 908 110 110 ILE CD1 C 14.306 0.0 1 909 110 110 ILE CG1 C 27.819 0.0 1 910 110 110 ILE CG2 C 17.399 0.0 1 911 110 110 ILE N N 118.905 0.0 1 912 111 111 ILE H H 8.983 0.0 1 913 111 111 ILE HA H 4.275 0.0 1 914 111 111 ILE HB H 1.773 0.0 1 915 111 111 ILE HD1 H 0.487 0.0 1 916 111 111 ILE HG12 H 1.026127 0.0 1 917 111 111 ILE HG13 H 1.072459 0.0 1 918 111 111 ILE HG2 H 0.489 0.0 1 919 111 111 ILE CA C 59.249 0.0 1 920 111 111 ILE CB C 38.63 0.0 1 921 111 111 ILE CD1 C 11.556 0.0 1 922 111 111 ILE CG1 C 27.803 0.0 1 923 111 111 ILE CG2 C 16.853 0.0 1 924 111 111 ILE N N 126.51 0.0 1 925 112 112 LEU H H 8.297 0.0 1 926 112 112 LEU HA H 5.153417 0.0 1 927 112 112 LEU HB2 H 1.58 0.0 1 928 112 112 LEU HB3 H 2.014 0.0 1 929 112 112 LEU HD1 H 0.767 0.0 1 930 112 112 LEU HD2 H 1.228537 0.0 1 931 112 112 LEU HG H 1.93 0.0 1 932 112 112 LEU CA C 53.49932 0.0 1 933 112 112 LEU CD1 C 27.082 0.0 1 934 112 112 LEU CD2 C 25.483 0.0 1 935 112 112 LEU CG C 27.821 0.0 1 936 112 112 LEU N N 108.107 0.0 1 937 113 113 VAL H H 9.225 0.0 1 938 113 113 VAL HA H 4.849 0.0 1 939 113 113 VAL HB H 1.98 0.0 1 940 113 113 VAL HG1 H 0.35392 0.0 1 941 113 113 VAL HG2 H 0.49 0.0 1 942 113 113 VAL C C 174.483 0.0 1 943 113 113 VAL CA C 60.198 0.0 1 944 113 113 VAL CB C 34.995 0.0 1 945 113 113 VAL CG1 C 21.909 0.0 1 946 113 113 VAL CG2 C 23.193 0.0 1 947 113 113 VAL N N 127.84 0.0 1 948 114 114 GLY H H 8.775 0.0 1 949 114 114 GLY HA2 H 2.609 0.0 1 950 114 114 GLY HA3 H 3.58 0.0 1 951 114 114 GLY C C 173.082 0.0 1 952 114 114 GLY CA C 44.501 0.0 1 953 114 114 GLY N N 113.462 0.0 1 954 115 115 THR H H 9.204 0.0 1 955 115 115 THR HA H 5.181 0.0 1 956 115 115 THR HG1 H 5.149 0.0 1 957 115 115 THR HG2 H 0.5869563 0.0 1 958 115 115 THR C C 175.279 0.0 1 959 115 115 THR CA C 59.971 0.0 1 960 115 115 THR CB C 70.289 0.0 1 961 115 115 THR CG2 C 22.71 0.0 1 962 115 115 THR N N 116.219 0.0 1 963 116 116 LYS H H 9.061 0.0 1 964 116 116 LYS C C 178.25 0.0 1 965 116 116 LYS CA C 57.166 0.0 1 966 116 116 LYS CB C 29.261 0.0 1 967 116 116 LYS N N 107.992 0.0 1 968 117 117 LEU H H 8.277 0.0 1 969 117 117 LEU HA H 3.759 0.0 1 970 117 117 LEU HB2 H 1.076 0.0 2 971 117 117 LEU HD1 H 0.476 0.0 1 972 117 117 LEU HD2 H 0.704 0.0 1 973 117 117 LEU HG H 1.387 0.0 1 974 117 117 LEU C C 177.647 0.0 1 975 117 117 LEU CA C 58.01932 0.0 1 976 117 117 LEU CB C 42.835 0.0 1 977 117 117 LEU CD1 C 26.23 0.0 1 978 117 117 LEU CD2 C 23.285 0.0 1 979 117 117 LEU CG C 26.622 0.0 1 980 117 117 LEU N N 115.673 0.0 1 981 118 118 ASP H H 8.461 0.0 1 982 118 118 ASP HA H 4.277 0.0 1 983 118 118 ASP HB2 H 2.531 0.0 2 984 118 118 ASP C C 176.064 0.0 1 985 118 118 ASP CA C 55.456 0.0 1 986 118 118 ASP CB C 40.672 0.0 1 987 118 118 ASP N N 112.055 0.0 1 988 119 119 LEU H H 7.83 0.0 1 989 119 119 LEU HA H 4.452 0.0 1 990 119 119 LEU HB2 H 1.806 0.0 2 991 119 119 LEU HD1 H 0.652 0.0 1 992 119 119 LEU HD2 H 0.856 0.0 1 993 119 119 LEU C C 178.187 0.0 1 994 119 119 LEU CA C 54.618 0.0 1 995 119 119 LEU CB C 42.76 0.0 1 996 119 119 LEU CD1 C 21.044 0.0 1 997 119 119 LEU CD2 C 26.426 0.0 1 998 119 119 LEU N N 116.513 0.0 1 999 120 120 ARG H H 7.142 0.0 1 1000 120 120 ARG HA H 3.508 0.0 1 1001 120 120 ARG HB2 H 1.571 0.0 1 1002 120 120 ARG HB3 H 1.941 0.0 1 1003 120 120 ARG HE H 6.934 0.0 1 1004 120 120 ARG HG2 H 1.357 0.0 2 1005 120 120 ARG C C 174.411 0.0 1 1006 120 120 ARG CA C 60.664 0.0 1 1007 120 120 ARG CB C 30.324 0.0 1 1008 120 120 ARG N N 118.415 0.0 1 1009 121 121 ASP H H 7.303 0.0 1 1010 121 121 ASP HA H 4.765 0.0 1 1011 121 121 ASP HB2 H 2.419 0.0 1 1012 121 121 ASP HB3 H 2.715 0.0 1 1013 121 121 ASP C C 175.601 0.0 1 1014 121 121 ASP CA C 52.612 0.0 1 1015 121 121 ASP CB C 41.184 0.0 1 1016 121 121 ASP N N 111.59 0.0 1 1017 122 122 ASP H H 7.155 0.0 1 1018 122 122 ASP HA H 4.537 0.0 1 1019 122 122 ASP HB2 H 2.663049 0.0 1 1020 122 122 ASP HB3 H 3.011 0.0 1 1021 122 122 ASP C C 175.085 0.0 1 1022 122 122 ASP CA C 54.004 0.0 1 1023 122 122 ASP CB C 43.917 0.0 1 1024 122 122 ASP N N 121.554 0.0 1 1025 123 123 LYS H H 8.773 0.0 1 1026 123 123 LYS HA H 3.817 0.0 1 1027 123 123 LYS HB2 H 1.75 0.0 1 1028 123 123 LYS HB3 H 1.844 0.0 1 1029 123 123 LYS HD2 H 1.644 0.0 2 1030 123 123 LYS HE2 H 2.932 0.0 2 1031 123 123 LYS HG2 H 1.333 0.0 1 1032 123 123 LYS HG3 H 1.453 0.0 1 1033 123 123 LYS C C 178.249 0.0 1 1034 123 123 LYS CA C 60.515 0.0 1 1035 123 123 LYS CB C 32.323 0.0 1 1036 123 123 LYS CD C 29.286 0.0 1 1037 123 123 LYS CE C 42.106 0.0 1 1038 123 123 LYS CG C 24.799 0.0 1 1039 123 123 LYS N N 129.024 0.0 1 1040 124 124 ASP H H 8.432 0.0 1 1041 124 124 ASP HA H 4.3 0.0 1 1042 124 124 ASP HB2 H 2.562 0.0 1 1043 124 124 ASP HB3 H 2.680527 0.0 1 1044 124 124 ASP C C 178.71 0.0 1 1045 124 124 ASP CA C 57.863 0.0 1 1046 124 124 ASP CB C 40.493 0.0 1 1047 124 124 ASP N N 117.87 0.0 1 1048 125 125 THR H H 7.992 0.0 1 1049 125 125 THR HA H 3.785 0.0 1 1050 125 125 THR HB H 4.567689 0.0 1 1051 125 125 THR HG1 H 6.881 0.0 1 1052 125 125 THR HG2 H 1.162 0.0 1 1053 125 125 THR C C 176.568 0.0 1 1054 125 125 THR CA C 67.901 0.0 1 1055 125 125 THR CB C 68.27511 0.0 1 1056 125 125 THR CG2 C 21.322 0.0 1 1057 125 125 THR N N 118.375 0.0 1 1058 126 126 ILE H H 8.465 0.0 1 1059 126 126 ILE HA H 3.452 0.0 1 1060 126 126 ILE HB H 1.896 0.0 1 1061 126 126 ILE HD1 H 0.733 0.0 1 1062 126 126 ILE HG12 H 0.947 0.0 1 1063 126 126 ILE HG13 H 1.621 0.0 1 1064 126 126 ILE HG2 H 0.856 0.0 1 1065 126 126 ILE C C 179.465 0.0 1 1066 126 126 ILE CA C 65.869 0.0 1 1067 126 126 ILE CB C 38.015 0.0 1 1068 126 126 ILE CD1 C 13.504 0.0 1 1069 126 126 ILE CG1 C 29.726 0.0 1 1070 126 126 ILE CG2 C 17.567 0.0 1 1071 126 126 ILE N N 121.688 0.0 1 1072 127 127 GLU H H 8.35 0.0 1 1073 127 127 GLU HA H 3.981 0.0 1 1074 127 127 GLU HB2 H 1.618 0.0 1 1075 127 127 GLU HB3 H 2.106 0.0 1 1076 127 127 GLU HG2 H 2.29 0.0 1 1077 127 127 GLU HG3 H 2.355 0.0 1 1078 127 127 GLU C C 179.227 0.0 1 1079 127 127 GLU CA C 59.52534 0.0 1 1080 127 127 GLU CB C 29.259 0.0 1 1081 127 127 GLU CG C 36.424 0.0 1 1082 127 127 GLU N N 119.95 0.0 1 1083 128 128 LYS H H 7.995 0.0 1 1084 128 128 LYS HA H 4.069679 0.0 1 1085 128 128 LYS HB2 H 1.865 0.0 1 1086 128 128 LYS HB3 H 1.982 0.0 1 1087 128 128 LYS HE2 H 2.939942 0.0 2 1088 128 128 LYS HG2 H 1.467 0.0 1 1089 128 128 LYS HG3 H 1.595 0.0 1 1090 128 128 LYS C C 180.62 0.0 1 1091 128 128 LYS CA C 59.171 0.0 1 1092 128 128 LYS CB C 32.026 0.0 1 1093 128 128 LYS CG C 25.487 0.0 1 1094 128 128 LYS N N 120.431 0.0 1 1095 129 129 LEU H H 8.149 0.0 1 1096 129 129 LEU HA H 4.005 0.0 1 1097 129 129 LEU HB2 H 1.07 0.0 1 1098 129 129 LEU HB3 H 1.814 0.0 1 1099 129 129 LEU HD1 H 0.615 0.0 1 1100 129 129 LEU HD2 H 0.752 0.0 1 1101 129 129 LEU HG H 1.754 0.0 1 1102 129 129 LEU C C 179.81 0.0 1 1103 129 129 LEU CA C 58.051 0.0 1 1104 129 129 LEU CB C 41.536 0.0 1 1105 129 129 LEU CD1 C 25.462 0.0 1 1106 129 129 LEU CD2 C 22.992 0.0 1 1107 129 129 LEU CG C 27.427 0.0 1 1108 129 129 LEU N N 119.569 0.0 1 1109 130 130 LYS H H 8.314 0.0 1 1110 130 130 LYS HA H 4.099 0.0 1 1111 130 130 LYS HB2 H 2.017 0.0 2 1112 130 130 LYS HD2 H 1.644 0.0 2 1113 130 130 LYS HE2 H 2.854 0.0 2 1114 130 130 LYS HG2 H 1.423 0.0 1 1115 130 130 LYS HG3 H 1.588 0.0 1 1116 130 130 LYS C C 180.955 0.0 1 1117 130 130 LYS CA C 59.775 0.0 1 1118 130 130 LYS CB C 32.253 0.0 1 1119 130 130 LYS CD C 29.545 0.0 1 1120 130 130 LYS CE C 42.011 0.0 1 1121 130 130 LYS CG C 25.355 0.0 1 1122 130 130 LYS N N 120.982 0.0 1 1123 131 131 GLU H H 7.73 0.0 1 1124 131 131 GLU HA H 4.041 0.0 1 1125 131 131 GLU HB2 H 2.107677 0.0 1 1126 131 131 GLU HB3 H 2.174 0.0 1 1127 131 131 GLU HG2 H 2.3 0.0 1 1128 131 131 GLU HG3 H 2.541 0.0 1 1129 131 131 GLU C C 177.778 0.0 1 1130 131 131 GLU CA C 59.272 0.0 1 1131 131 131 GLU CB C 29.599 0.0 1 1132 131 131 GLU CG C 36.431 0.0 1 1133 131 131 GLU N N 120.199 0.0 1 1134 132 132 LYS H H 7.239 0.0 1 1135 132 132 LYS HA H 4.384 0.0 1 1136 132 132 LYS HB2 H 2.132 0.0 2 1137 132 132 LYS HD2 H 1.619 0.0 2 1138 132 132 LYS HE2 H 2.948 0.0 2 1139 132 132 LYS HG2 H 1.407 0.0 1 1140 132 132 LYS HG3 H 1.531 0.0 1 1141 132 132 LYS C C 174.749 0.0 1 1142 132 132 LYS CA C 55.164 0.0 1 1143 132 132 LYS CB C 32.85 0.0 1 1144 132 132 LYS CD C 29.267 0.0 1 1145 132 132 LYS CE C 42.319 0.0 1 1146 132 132 LYS CG C 25.116 0.0 1 1147 132 132 LYS N N 116.441 0.0 1 1148 133 133 LYS H H 8.05 0.0 1 1149 133 133 LYS HA H 3.856 0.0 1 1150 133 133 LYS HB2 H 1.9 0.0 1 1151 133 133 LYS HB3 H 2.103 0.0 1 1152 133 133 LYS HD2 H 1.596 0.0 1 1153 133 133 LYS HD3 H 1.64 0.0 1 1154 133 133 LYS HE2 H 2.953 0.0 2 1155 133 133 LYS HG2 H 1.319 0.0 2 1156 133 133 LYS C C 175.363 0.0 1 1157 133 133 LYS CA C 57.257 0.0 1 1158 133 133 LYS CB C 28.72 0.0 1 1159 133 133 LYS CD C 28.985 0.0 1 1160 133 133 LYS CE C 42.186 0.0 1 1161 133 133 LYS CG C 25.297 0.0 1 1162 133 133 LYS N N 113.916 0.0 1 1163 134 134 LEU H H 7.909 0.0 1 1164 134 134 LEU HA H 4.837 0.0 1 1165 134 134 LEU HB2 H 1.205 0.0 1 1166 134 134 LEU HB3 H 1.628 0.0 1 1167 134 134 LEU HD1 H 0.849 0.0 1 1168 134 134 LEU HD2 H 0.856 0.0 1 1169 134 134 LEU C C 176.374 0.0 1 1170 134 134 LEU CA C 52.993 0.0 1 1171 134 134 LEU CB C 46.636 0.0 1 1172 134 134 LEU CD1 C 25.984 0.0 1 1173 134 134 LEU CD2 C 22.381 0.0 1 1174 134 134 LEU N N 117.672 0.0 1 1175 135 135 THR H H 7.773 0.0 1 1176 135 135 THR HA H 4.746 0.0 1 1177 135 135 THR HB H 4.101 0.0 1 1178 135 135 THR HG2 H 1.094 0.0 1 1179 135 135 THR C C 171.292 0.0 1 1180 135 135 THR CA C 58.929 0.0 1 1181 135 135 THR CB C 70.644 0.0 1 1182 135 135 THR CG2 C 21.419 0.0 1 1183 135 135 THR N N 112.601 0.0 1 1184 136 136 PRO HA H 4.271 0.0 1 1185 136 136 PRO HB2 H 1.613097 0.0 1 1186 136 136 PRO HB3 H 2.097 0.0 1 1187 136 136 PRO HD2 H 3.716 0.0 2 1188 136 136 PRO HG2 H 2.178 0.0 2 1189 136 136 PRO C C 175.277 0.0 1 1190 136 136 PRO CA C 62.62 0.0 1 1191 136 136 PRO CB C 33.078 0.0 1 1192 136 136 PRO CD C 50.75878 0.0 1 1193 136 136 PRO CG C 27.745 0.0 1 1194 137 137 ILE H H 8.69 0.0 1 1195 137 137 ILE HA H 3.892 0.0 1 1196 137 137 ILE HB H 1.929 0.0 1 1197 137 137 ILE HD1 H 0.364 0.0 1 1198 137 137 ILE HG12 H 0.709 0.0 1 1199 137 137 ILE HG13 H 1.176 0.0 1 1200 137 137 ILE HG2 H 0.154 0.0 1 1201 137 137 ILE C C 175.822 0.0 1 1202 137 137 ILE CA C 59.64627 0.0 1 1203 137 137 ILE CB C 36.412 0.0 1 1204 137 137 ILE CD1 C 10.519 0.0 1 1205 137 137 ILE CG1 C 27.108 0.0 1 1206 137 137 ILE CG2 C 17.126 0.0 1 1207 137 137 ILE N N 122.52 0.0 1 1208 138 138 THR H H 7.832 0.0 1 1209 138 138 THR HA H 4.295 0.0 1 1210 138 138 THR HB H 4.474 0.0 1 1211 138 138 THR HG1 H 5.301 0.0 1 1212 138 138 THR HG2 H 1.165 0.0 1 1213 138 138 THR C C 174.342 0.0 1 1214 138 138 THR CA C 60.42 0.0 1 1215 138 138 THR CB C 71.143 0.0 1 1216 138 138 THR CG2 C 22.089 0.0 1 1217 138 138 THR N N 116.215 0.0 1 1218 139 139 TYR H H 9.046 0.0 1 1219 139 139 TYR HA H 4.279 0.0 1 1220 139 139 TYR HB2 H 3.105 0.0 1 1221 139 139 TYR HB3 H 3.300934 0.0 1 1222 139 139 TYR HD1 H 7.093 0.0 3 1223 139 139 TYR HE1 H 6.754 0.0 3 1224 139 139 TYR C C 174.511 0.0 1 1225 139 139 TYR CA C 62.784 0.0 1 1226 139 139 TYR CB C 35.899 0.0 1 1227 139 139 TYR CD1 C 133.556 0.0 3 1228 139 139 TYR CE1 C 118.085 0.0 3 1229 139 139 TYR N N 120.907 0.0 1 1230 140 140 PRO HA H 4.01 0.0 1 1231 140 140 PRO HB2 H 1.677 0.0 1 1232 140 140 PRO HB3 H 2.279729 0.0 1 1233 140 140 PRO HD2 H 3.091 0.0 1 1234 140 140 PRO HD3 H 3.992 0.0 1 1235 140 140 PRO HG2 H 2.021 0.0 2 1236 140 140 PRO C C 180.351 0.0 1 1237 140 140 PRO CA C 65.975 0.0 1 1238 140 140 PRO CB C 31.135 0.0 1 1239 140 140 PRO CD C 49.608 0.0 1 1240 140 140 PRO CG C 28.62914 0.0 1 1241 141 141 GLN H H 7.171 0.0 1 1242 141 141 GLN HA H 3.909 0.0 1 1243 141 141 GLN HB2 H 1.685 0.0 1 1244 141 141 GLN HB3 H 2.069541 0.0 1 1245 141 141 GLN HE21 H 6.533 0.0 1 1246 141 141 GLN HE22 H 7.398 0.0 1 1247 141 141 GLN HG2 H 2.168 0.0 2 1248 141 141 GLN C C 179.487 0.0 1 1249 141 141 GLN CA C 59.014 0.0 1 1250 141 141 GLN CB C 28.807 0.0 1 1251 141 141 GLN CG C 34.692 0.0 1 1252 141 141 GLN N N 116.948 0.0 1 1253 141 141 GLN NE2 N 109.882 0.0 1 1254 142 142 GLY H H 8.078 0.0 1 1255 142 142 GLY HA2 H 2.996 0.0 1 1256 142 142 GLY C C 174.89 0.0 1 1257 142 142 GLY CA C 46.651 0.0 1 1258 142 142 GLY N N 110.309 0.0 1 1259 143 143 LEU H H 7.803 0.0 1 1260 143 143 LEU HA H 3.42 0.0 1 1261 143 143 LEU HB2 H 1.16 0.0 1 1262 143 143 LEU HB3 H 1.34 0.0 1 1263 143 143 LEU HD1 H 0.868 0.0 2 1264 143 143 LEU HG H 1.248 0.0 1 1265 143 143 LEU C C 179.459 0.0 1 1266 143 143 LEU CA C 57.283 0.0 1 1267 143 143 LEU CB C 42.383 0.0 1 1268 143 143 LEU CD1 C 24.693 0.0 2 1269 143 143 LEU CG C 26.177 0.0 1 1270 143 143 LEU N N 120.736 0.0 1 1271 144 144 ALA H H 7.514 0.0 1 1272 144 144 ALA HA H 3.956 0.0 1 1273 144 144 ALA HB H 1.382 0.0 1 1274 144 144 ALA C C 180.977 0.0 1 1275 144 144 ALA CA C 54.874 0.0 1 1276 144 144 ALA CB C 17.86242 0.0 1 1277 144 144 ALA N N 119.898 0.0 1 1278 145 145 MET H H 7.701 0.0 1 1279 145 145 MET HA H 4.113 0.0 1 1280 145 145 MET HB2 H 1.86981 0.0 2 1281 145 145 MET C C 177.25 0.0 1 1282 145 145 MET CA C 56.964 0.0 1 1283 145 145 MET CB C 31.86311 0.0 1 1284 145 145 MET CE C 16.022 0.0 1 1285 145 145 MET N N 120.534 0.0 1 1286 146 146 ALA H H 8.121 0.0 1 1287 146 146 ALA HA H 3.6 0.0 1 1288 146 146 ALA HB H 1.381 0.0 1 1289 146 146 ALA C C 178.926 0.0 1 1290 146 146 ALA CA C 54.95 0.0 1 1291 146 146 ALA CB C 18.717 0.0 1 1292 146 146 ALA N N 120.537 0.0 1 1293 147 147 LYS H H 7.765 0.0 1 1294 147 147 LYS HA H 3.972 0.0 1 1295 147 147 LYS HB2 H 1.803 0.0 2 1296 147 147 LYS HD2 H 1.584 0.0 2 1297 147 147 LYS HE2 H 2.85 0.0 2 1298 147 147 LYS HG2 H 1.307 0.0 1 1299 147 147 LYS HG3 H 1.421386 0.0 1 1300 147 147 LYS C C 179.72 0.0 1 1301 147 147 LYS CA C 58.826 0.0 1 1302 147 147 LYS CB C 32.171 0.0 1 1303 147 147 LYS CD C 29.222 0.0 1 1304 147 147 LYS CE C 42.097 0.0 1 1305 147 147 LYS CG C 25.124 0.0 1 1306 147 147 LYS N N 116.734 0.0 1 1307 148 148 GLU H H 7.826 0.0 1 1308 148 148 GLU HA H 3.818 0.0 1 1309 148 148 GLU HB2 H 2.014 0.0 2 1310 148 148 GLU HG2 H 1.873 0.0 1 1311 148 148 GLU HG3 H 2.121 0.0 1 1312 148 148 GLU C C 178.563 0.0 1 1313 148 148 GLU CA C 59.624 0.0 1 1314 148 148 GLU CB C 29.38632 0.0 1 1315 148 148 GLU CG C 35.792 0.0 1 1316 148 148 GLU N N 121.159 0.0 1 1317 149 149 ILE H H 7.487 0.0 1 1318 149 149 ILE HA H 3.579 0.0 1 1319 149 149 ILE HB H 0.875 0.0 1 1320 149 149 ILE HD1 H 0.482 0.0 1 1321 149 149 ILE HG12 H 0.952 0.0 1 1322 149 149 ILE HG13 H 1.223 0.0 1 1323 149 149 ILE HG2 H 0.224 0.0 1 1324 149 149 ILE C C 174.307 0.0 1 1325 149 149 ILE CA C 60.686 0.0 1 1326 149 149 ILE CB C 37.034 0.0 1 1327 149 149 ILE CD1 C 14.985 0.0 1 1328 149 149 ILE CG1 C 24.813 0.0 1 1329 149 149 ILE CG2 C 16.372 0.0 1 1330 149 149 ILE N N 108.473 0.0 1 1331 150 150 GLY H H 7.328 0.0 1 1332 150 150 GLY HA2 H 3.677 0.0 1 1333 150 150 GLY HA3 H 3.773 0.0 1 1334 150 150 GLY C C 176.24 0.0 1 1335 150 150 GLY CA C 46.608 0.0 1 1336 150 150 GLY N N 108.347 0.0 1 1337 151 151 ALA H H 8.528 0.0 1 1338 151 151 ALA HA H 4.263 0.0 1 1339 151 151 ALA HB H 1.193 0.0 1 1340 151 151 ALA C C 177.744 0.0 1 1341 151 151 ALA CA C 52.072 0.0 1 1342 151 151 ALA CB C 19.288 0.0 1 1343 151 151 ALA N N 122.087 0.0 1 1344 152 152 VAL H H 9.032 0.0 1 1345 152 152 VAL HA H 3.838 0.0 1 1346 152 152 VAL HB H 2.015 0.0 1 1347 152 152 VAL HG1 H 0.9932001 0.0 1 1348 152 152 VAL HG2 H 0.999 0.0 1 1349 152 152 VAL C C 176.426 0.0 1 1350 152 152 VAL CA C 64.216 0.0 1 1351 152 152 VAL CB C 32.373 0.0 1 1352 152 152 VAL CG1 C 21.44449 0.0 1 1353 152 152 VAL CG2 C 21.9528 0.0 1 1354 152 152 VAL N N 118.474 0.0 1 1355 153 153 LYS H H 7.05 0.0 1 1356 153 153 LYS HA H 4.430797 0.0 1 1357 153 153 LYS HB2 H 1.539 0.0 2 1358 153 153 LYS HD2 H 1.618 0.0 1 1359 153 153 LYS HD3 H 1.711 0.0 1 1360 153 153 LYS HE2 H 2.798 0.0 1 1361 153 153 LYS HE3 H 2.857 0.0 1 1362 153 153 LYS HG2 H 1.274 0.0 1 1363 153 153 LYS HG3 H 1.333584 0.0 1 1364 153 153 LYS C C 173.112 0.0 1 1365 153 153 LYS CA C 54.346 0.0 1 1366 153 153 LYS CB C 37.675 0.0 1 1367 153 153 LYS CD C 28.58 0.0 1 1368 153 153 LYS CE C 41.96893 0.0 1 1369 153 153 LYS CG C 25.52 0.0 1 1370 153 153 LYS N N 113.786 0.0 1 1371 154 154 TYR H H 8.046 0.0 1 1372 154 154 TYR HA H 5.665 0.0 1 1373 154 154 TYR HB2 H 2.456 0.0 1 1374 154 154 TYR HB3 H 2.706711 0.0 1 1375 154 154 TYR HD1 H 6.111 0.0 3 1376 154 154 TYR HE1 H 6.552 0.0 3 1377 154 154 TYR HH H 10.808 0.0 1 1378 154 154 TYR C C 173.228 0.0 1 1379 154 154 TYR CA C 55.475 0.0 1 1380 154 154 TYR CB C 41.088 0.0 1 1381 154 154 TYR CD1 C 132.767 0.0 3 1382 154 154 TYR CE1 C 117.7648 0.0 3 1383 154 154 TYR N N 122.163 0.0 1 1384 155 155 LEU H H 8.29 0.0 1 1385 155 155 LEU HA H 4.326 0.0 1 1386 155 155 LEU HB2 H 1.019 0.0 1 1387 155 155 LEU HB3 H 1.581 0.0 1 1388 155 155 LEU HD1 H 0.557 0.0 1 1389 155 155 LEU HD2 H 0.778 0.0 1 1390 155 155 LEU HG H 1.176 0.0 1 1391 155 155 LEU C C 173.321 0.0 1 1392 155 155 LEU CA C 52.765 0.0 1 1393 155 155 LEU CB C 46.85 0.0 1 1394 155 155 LEU CD1 C 28.002 0.0 1 1395 155 155 LEU CD2 C 23.69 0.0 1 1396 155 155 LEU CG C 27.18049 0.0 1 1397 155 155 LEU N N 127.825 0.0 1 1398 156 156 GLU H H 7.931 0.0 1 1399 156 156 GLU HA H 5.131 0.0 1 1400 156 156 GLU HB2 H 1.771 0.0 2 1401 156 156 GLU HG2 H 1.963 0.0 1 1402 156 156 GLU HG3 H 2.172005 0.0 1 1403 156 156 GLU C C 177.594 0.0 1 1404 156 156 GLU CA C 53.701 0.0 1 1405 156 156 GLU CB C 32.968 0.0 1 1406 156 156 GLU N N 115.061 0.0 1 1407 157 157 CYS H H 9.016 0.0 1 1408 157 157 CYS HA H 5.167 0.0 1 1409 157 157 CYS HB2 H 2.318682 0.0 1 1410 157 157 CYS HB3 H 2.548 0.0 1 1411 157 157 CYS HG H 1.126 0.0 1 1412 157 157 CYS C C 171.617 0.0 1 1413 157 157 CYS CA C 56.11078 0.0 1 1414 157 157 CYS CB C 31.914 0.0 1 1415 157 157 CYS N N 114.672 0.0 1 1416 158 158 SER H H 8.36 0.0 1 1417 158 158 SER HA H 5.183 0.0 1 1418 158 158 SER HB2 H 3.821 0.0 1 1419 158 158 SER HB3 H 4.002 0.0 1 1420 158 158 SER HG H 6.987 0.0 1 1421 158 158 SER C C 176.101 0.0 1 1422 158 158 SER CA C 55.838 0.0 1 1423 158 158 SER CB C 65.571 0.0 1 1424 158 158 SER N N 110.669 0.0 1 1425 159 159 ALA H H 9.308 0.0 1 1426 159 159 ALA HA H 4.145 0.0 1 1427 159 159 ALA HB H 1.706 0.0 1 1428 159 159 ALA C C 177.377 0.0 1 1429 159 159 ALA CA C 54.64233 0.0 1 1430 159 159 ALA CB C 19.769 0.0 1 1431 159 159 ALA N N 132.36 0.0 1 1432 160 160 LEU H H 7.371 0.0 1 1433 160 160 LEU HA H 3.222 0.0 1 1434 160 160 LEU HB2 H 0.146 0.0 1 1435 160 160 LEU HB3 H 1.088 0.0 1 1436 160 160 LEU HD1 H -0.084 0.0 1 1437 160 160 LEU HD2 H 0.434 0.0 1 1438 160 160 LEU HG H 0.79 0.0 1 1439 160 160 LEU C C 177.944 0.0 1 1440 160 160 LEU CA C 57.8 0.0 1 1441 160 160 LEU CB C 43.158 0.0 1 1442 160 160 LEU CD1 C 22.995 0.0 1 1443 160 160 LEU CD2 C 25.679 0.0 1 1444 160 160 LEU CG C 26.656 0.0 1 1445 160 160 LEU N N 118.807 0.0 1 1446 161 161 THR H H 8.055 0.0 1 1447 161 161 THR HA H 4.206 0.0 1 1448 161 161 THR HB H 4.359 0.0 1 1449 161 161 THR HG1 H 5.269 0.0 1 1450 161 161 THR HG2 H 1.068 0.0 1 1451 161 161 THR C C 176.15 0.0 1 1452 161 161 THR CA C 61.31 0.0 1 1453 161 161 THR CB C 69.848 0.0 1 1454 161 161 THR CG2 C 21.74 0.0 1 1455 161 161 THR N N 106.133 0.0 1 1456 162 162 GLN H H 7.335 0.0 1 1457 162 162 GLN HA H 3.881786 0.0 1 1458 162 162 GLN HB2 H 2.197 0.0 1 1459 162 162 GLN HB3 H 2.574 0.0 1 1460 162 162 GLN HE21 H 6.57 0.0 1 1461 162 162 GLN HE22 H 7.198 0.0 1 1462 162 162 GLN HG2 H 2.03 0.0 1 1463 162 162 GLN HG3 H 2.1 0.0 1 1464 162 162 GLN C C 175.401 0.0 1 1465 162 162 GLN CA C 59.22 0.0 1 1466 162 162 GLN CB C 25.973 0.0 1 1467 162 162 GLN CG C 34.609 0.0 1 1468 162 162 GLN N N 112.791 0.0 1 1469 162 162 GLN NE2 N 111.485 0.0 1 1470 163 163 ARG H H 7.849 0.0 1 1471 163 163 ARG HA H 4.163 0.0 1 1472 163 163 ARG HB2 H 1.567561 0.0 1 1473 163 163 ARG HB3 H 1.665 0.0 1 1474 163 163 ARG HD2 H 3.055 0.0 1 1475 163 163 ARG HD3 H 3.125 0.0 1 1476 163 163 ARG HE H 6.712 0.0 1 1477 163 163 ARG HG2 H 1.459 0.0 1 1478 163 163 ARG HG3 H 1.556 0.0 1 1479 163 163 ARG C C 177.298 0.0 1 1480 163 163 ARG CA C 58.08 0.0 1 1481 163 163 ARG CB C 30.166 0.0 1 1482 163 163 ARG CD C 43.411 0.0 1 1483 163 163 ARG CG C 26.904 0.0 1 1484 163 163 ARG N N 123.74 0.0 1 1485 164 164 GLY H H 9.061 0.0 1 1486 164 164 GLY HA2 H 3.847 0.0 1 1487 164 164 GLY HA3 H 4.14 0.0 1 1488 164 164 GLY C C 175.226 0.0 1 1489 164 164 GLY CA C 46.163 0.0 1 1490 164 164 GLY N N 114.837 0.0 1 1491 165 165 LEU H H 7.468 0.0 1 1492 165 165 LEU HA H 3.721 0.0 1 1493 165 165 LEU HB2 H 1.168 0.0 1 1494 165 165 LEU HB3 H 1.919 0.0 1 1495 165 165 LEU HD1 H 0.991 0.0 1 1496 165 165 LEU HD2 H 1.040603 0.0 1 1497 165 165 LEU HG H 1.635 0.0 1 1498 165 165 LEU C C 177.109 0.0 1 1499 165 165 LEU CA C 58.572 0.0 1 1500 165 165 LEU CB C 43.621 0.0 1 1501 165 165 LEU CD1 C 26.23062 0.0 1 1502 165 165 LEU CD2 C 25.35892 0.0 1 1503 165 165 LEU CG C 27.27831 0.0 1 1504 165 165 LEU N N 121.07 0.0 1 1505 166 166 LYS H H 8.529 0.0 1 1506 166 166 LYS HA H 4.06 0.0 1 1507 166 166 LYS HB2 H 1.944 0.0 1 1508 166 166 LYS HB3 H 1.987 0.0 1 1509 166 166 LYS HD2 H 1.675 0.0 1 1510 166 166 LYS HD3 H 1.771 0.0 1 1511 166 166 LYS HE2 H 3.059 0.0 2 1512 166 166 LYS HG2 H 1.535 0.0 1 1513 166 166 LYS HG3 H 1.686 0.0 1 1514 166 166 LYS C C 179.31 0.0 1 1515 166 166 LYS CA C 60.406 0.0 1 1516 166 166 LYS CB C 32.332 0.0 1 1517 166 166 LYS CD C 29.551 0.0 1 1518 166 166 LYS CE C 42.217 0.0 1 1519 166 166 LYS CG C 25.519 0.0 1 1520 166 166 LYS N N 116.783 0.0 1 1521 167 167 THR H H 7.713 0.0 1 1522 167 167 THR HA H 3.816 0.0 1 1523 167 167 THR HB H 3.813 0.0 1 1524 167 167 THR HG2 H 1.229 0.0 1 1525 167 167 THR C C 174.737 0.0 1 1526 167 167 THR CA C 66.309 0.0 1 1527 167 167 THR CB C 69.115 0.0 1 1528 167 167 THR CG2 C 23.145 0.0 1 1529 167 167 THR N N 113.431 0.0 1 1530 168 168 VAL H H 7.049 0.0 1 1531 168 168 VAL HA H 3.06 0.0 1 1532 168 168 VAL HB H 1.676 0.0 1 1533 168 168 VAL HG1 H -0.259 0.0 1 1534 168 168 VAL HG2 H 0.711 0.0 1 1535 168 168 VAL C C 175.885 0.0 1 1536 168 168 VAL CA C 66.697 0.0 1 1537 168 168 VAL CB C 31.254 0.0 1 1538 168 168 VAL CG1 C 21.716 0.0 1 1539 168 168 VAL CG2 C 22.33368 0.0 1 1540 168 168 VAL N N 119.101 0.0 1 1541 169 169 PHE H H 6.251 0.0 1 1542 169 169 PHE HA H 3.71956 0.0 1 1543 169 169 PHE HB2 H 2.233 0.0 1 1544 169 169 PHE HB3 H 2.572 0.0 1 1545 169 169 PHE HD1 H 6.421 0.0 3 1546 169 169 PHE HE1 H 6.584 0.0 3 1547 169 169 PHE HZ H 6.491 0.0 1 1548 169 169 PHE C C 177.4 0.0 1 1549 169 169 PHE CA C 61.81 0.0 1 1550 169 169 PHE CB C 38.774 0.0 1 1551 169 169 PHE CD1 C 130.742 0.0 3 1552 169 169 PHE CE1 C 130.142 0.0 3 1553 169 169 PHE CZ C 127.097 0.0 1 1554 169 169 PHE N N 114.407 0.0 1 1555 170 170 ASP H H 8.148 0.0 1 1556 170 170 ASP HA H 4.24 0.0 1 1557 170 170 ASP HB2 H 2.478 0.0 1 1558 170 170 ASP HB3 H 2.618 0.0 1 1559 170 170 ASP C C 179.242 0.0 1 1560 170 170 ASP CA C 57.8 0.0 1 1561 170 170 ASP CB C 40.508 0.0 1 1562 170 170 ASP N N 120.029 0.0 1 1563 171 171 GLU H H 8.254 0.0 1 1564 171 171 GLU HB2 H 1.722 0.0 1 1565 171 171 GLU HB3 H 1.993 0.0 1 1566 171 171 GLU HG2 H 2.054717 0.0 1 1567 171 171 GLU HG3 H 2.430673 0.0 1 1568 171 171 GLU C C 179.613 0.0 1 1569 171 171 GLU CA C 58.094 0.0 1 1570 171 171 GLU CB C 28.046 0.0 1 1571 171 171 GLU N N 115.752 0.0 1 1572 172 172 ALA H H 7.926 0.0 1 1573 172 172 ALA HA H 3.738 0.0 1 1574 172 172 ALA HB H 1.227 0.0 1 1575 172 172 ALA C C 177.715 0.0 1 1576 172 172 ALA CA C 55.642 0.0 1 1577 172 172 ALA CB C 17.198 0.0 1 1578 172 172 ALA N N 123.857 0.0 1 1579 173 173 ILE H H 7.587 0.0 1 1580 173 173 ILE HA H 3.41 0.0 1 1581 173 173 ILE HB H 1.956 0.0 1 1582 173 173 ILE HD1 H 0.809 0.0 1 1583 173 173 ILE HG12 H 0.745 0.0 1 1584 173 173 ILE HG13 H 1.893 0.0 1 1585 173 173 ILE HG2 H 0.756 0.0 1 1586 173 173 ILE C C 179.292 0.0 1 1587 173 173 ILE CA C 65.587 0.0 1 1588 173 173 ILE CB C 37.997 0.0 1 1589 173 173 ILE CD1 C 14.844 0.0 1 1590 173 173 ILE CG1 C 30.253 0.0 1 1591 173 173 ILE CG2 C 18.33 0.0 1 1592 173 173 ILE N N 114.127 0.0 1 1593 174 174 ARG H H 8.423 0.0 1 1594 174 174 ARG HA H 3.682 0.0 1 1595 174 174 ARG HB2 H 1.709 0.0 2 1596 174 174 ARG HD2 H 3.077 0.0 2 1597 174 174 ARG HG2 H 1.462 0.0 2 1598 174 174 ARG C C 177.688 0.0 1 1599 174 174 ARG CA C 60.649 0.0 1 1600 174 174 ARG CB C 29.802 0.0 1 1601 174 174 ARG CD C 43.358 0.0 1 1602 174 174 ARG CG C 27.122 0.0 1 1603 174 174 ARG N N 119.832 0.0 1 1604 175 175 ALA H H 7.776 0.0 1 1605 175 175 ALA HA H 3.993 0.0 1 1606 175 175 ALA HB H 1.371 0.0 1 1607 175 175 ALA C C 177.589 0.0 1 1608 175 175 ALA CA C 54.18 0.0 1 1609 175 175 ALA CB C 17.95134 0.0 1 1610 175 175 ALA N N 118.163 0.0 1 1611 176 176 VAL H H 7.196 0.0 1 1612 176 176 VAL HA H 3.794 0.0 1 1613 176 176 VAL HB H 2.103 0.0 1 1614 176 176 VAL HG1 H 0.876 0.0 2 1615 176 176 VAL C C 177.378 0.0 1 1616 176 176 VAL CA C 64.011 0.0 1 1617 176 176 VAL CB C 33.184 0.0 1 1618 176 176 VAL CG1 C 21.892 0.0 2 1619 176 176 VAL N N 114.779 0.0 1 1620 177 177 LEU H H 8.106 0.0 1 1621 177 177 LEU HA H 4.136 0.0 1 1622 177 177 LEU HB2 H 1.56 0.0 2 1623 177 177 LEU HD1 H 0.671 0.0 1 1624 177 177 LEU HD2 H 0.664 0.0 1 1625 177 177 LEU HG H 1.66 0.0 1 1626 177 177 LEU C C 177.892 0.0 1 1627 177 177 LEU CA C 56.381 0.0 1 1628 177 177 LEU CB C 42.68979 0.0 1 1629 177 177 LEU CD1 C 22.396 0.0 1 1630 177 177 LEU CD2 C 25.81861 0.0 1 1631 177 177 LEU CG C 26.496 0.0 1 1632 177 177 LEU N N 117.115 0.0 1 1633 178 178 CYS H H 8.174 0.0 1 1634 178 178 CYS HA H 4.693 0.0 1 1635 178 178 CYS HB2 H 2.767 0.0 1 1636 178 178 CYS HB3 H 2.881 0.0 1 1637 178 178 CYS C C 171.421 0.0 1 1638 178 178 CYS CA C 56.097 0.0 1 1639 178 178 CYS CB C 27.478 0.0 1 1640 178 178 CYS N N 117.58 0.0 1 1641 179 179 PRO HA H 4.646 0.0 1 1642 179 179 PRO HB2 H 1.86 0.0 1 1643 179 179 PRO HB3 H 2.282 0.0 1 1644 179 179 PRO HD2 H 3.45516 0.0 2 1645 179 179 PRO HG2 H 1.929 0.0 2 1646 179 179 PRO CA C 61.722 0.0 1 1647 179 179 PRO CB C 30.672 0.0 1 1648 179 179 PRO CD C 50.372 0.0 1 1649 179 179 PRO CG C 27.198 0.0 1 1650 180 180 PRO HA H 4.667 0.0 1 1651 180 180 PRO HB2 H 1.839 0.0 1 1652 180 180 PRO HB3 H 2.294 0.0 1 1653 180 180 PRO HD2 H 3.603834 0.0 1 1654 180 180 PRO HD3 H 3.835 0.0 1 1655 180 180 PRO HG2 H 1.994 0.0 2 1656 180 180 PRO CA C 61.249 0.0 1 1657 180 180 PRO CB C 30.702 0.0 1 1658 180 180 PRO CD C 50.372 0.0 1 1659 180 180 PRO CG C 27.252 0.0 1 1660 181 181 PRO HA H 4.39 0.0 1 1661 181 181 PRO HB2 H 1.792616 0.0 1 1662 181 181 PRO HB3 H 2.20036 0.0 1 1663 181 181 PRO HD2 H 3.565 0.0 1 1664 181 181 PRO HD3 H 3.752 0.0 1 1665 181 181 PRO HG2 H 1.951 0.0 2 1666 181 181 PRO CA C 62.793 0.0 1 1667 181 181 PRO CB C 31.88597 0.0 1 1668 181 181 PRO CD C 50.411 0.0 1 1669 181 181 PRO CG C 27.281 0.0 1 1670 182 182 VAL H H 8.116 0.0 1 1671 182 182 VAL HA H 3.955 0.0 1 1672 182 182 VAL HB H 1.961267 0.0 1 1673 182 182 VAL HG1 H 0.8503013 0.0 1 1674 182 182 VAL HG2 H 0.888033 0.0 1 1675 182 182 VAL CA C 62.406 0.0 1 1676 182 182 VAL CB C 32.78797 0.0 1 1677 182 182 VAL CG1 C 21.267 0.0 1 1678 182 182 VAL CG2 C 20.837 0.0 1 1679 182 182 VAL N N 120.299 0.0 1 1680 183 183 LYS H H 8.302 0.0 1 1681 183 183 LYS HA H 4.214 0.0 1 1682 183 183 LYS HB2 H 1.659 0.0 1 1683 183 183 LYS HB3 H 1.725 0.0 1 1684 183 183 LYS HD2 H 1.598 0.0 2 1685 183 183 LYS HE2 H 2.916 0.0 2 1686 183 183 LYS HG2 H 1.318 0.0 1 1687 183 183 LYS HG3 H 1.372 0.0 1 1688 183 183 LYS CA C 56.193 0.0 1 1689 183 183 LYS CB C 32.954 0.0 1 1690 183 183 LYS CD C 29.074 0.0 1 1691 183 183 LYS CE C 42.145 0.0 1 1692 183 183 LYS CG C 24.829 0.0 1 1693 183 183 LYS N N 124.848 0.0 1 1694 184 184 LYS H H 8.229 0.0 1 1695 184 184 LYS HA H 4.215 0.0 1 1696 184 184 LYS HB2 H 1.655449 0.0 1 1697 184 184 LYS HB3 H 1.727653 0.0 1 1698 184 184 LYS HD2 H 1.597903 0.0 2 1699 184 184 LYS HE2 H 2.912776 0.0 2 1700 184 184 LYS HG2 H 1.317804 0.0 1 1701 184 184 LYS HG3 H 1.373255 0.0 1 1702 184 184 LYS CA C 56.566 0.0 1 1703 184 184 LYS CB C 33.13635 0.0 1 1704 184 184 LYS CD C 29.06064 0.0 1 1705 184 184 LYS CE C 42.14215 0.0 1 1706 184 184 LYS CG C 24.80302 0.0 1 1707 184 184 LYS N N 122.453 0.0 1 1708 185 185 ARG H H 7.944 0.0 1 1709 185 185 ARG HA H 4.074 0.0 1 1710 185 185 ARG HB2 H 1.622601 0.0 1 1711 185 185 ARG HB3 H 1.74 0.0 1 1712 185 185 ARG HD2 H 3.105 0.0 2 1713 185 185 ARG HG2 H 1.501 0.0 2 1714 185 185 ARG CA C 57.467 0.0 1 1715 185 185 ARG CB C 31.5134 0.0 1 1716 185 185 ARG CD C 43.437 0.0 1 1717 185 185 ARG CG C 27.245 0.0 1 1718 185 185 ARG N N 127.408 0.0 1 1719 187 187 ARG HA H 4.24889 0.0 1 1720 187 187 ARG HB2 H 1.679036 0.0 1 1721 187 187 ARG HB3 H 1.751154 0.0 1 1722 187 187 ARG HD2 H 3.146 0.0 2 1723 187 187 ARG HG2 H 1.565152 0.0 2 1724 187 187 ARG CA C 56.064 0.0 1 1725 187 187 ARG CB C 31.15816 0.0 1 1726 187 187 ARG CD C 43.201 0.0 1 1727 187 187 ARG CG C 27.29458 0.0 1 1728 188 188 LYS H H 7.894 0.0 1 1729 188 188 LYS HA H 4.057 0.0 1 1730 188 188 LYS HB2 H 1.622 0.0 1 1731 188 188 LYS HB3 H 1.711 0.0 1 1732 188 188 LYS HD2 H 1.583 0.0 2 1733 188 188 LYS HE2 H 2.908 0.0 2 1734 188 188 LYS HG2 H 1.307 0.0 2 1735 188 188 LYS CA C 57.772 0.0 1 1736 188 188 LYS CB C 33.664 0.0 1 1737 188 188 LYS CD C 29.029 0.0 1 1738 188 188 LYS CE C 42.167 0.0 1 1739 188 188 LYS CG C 24.835 0.0 1 1740 188 188 LYS N N 127.232 0.0 1 1741 191 191 LEU H H 8.194 0.0 1 1742 191 191 LEU HA H 4.263 0.0 1 1743 191 191 LEU HB2 H 1.489 0.0 2 1744 191 191 LEU HD1 H 0.804 0.0 2 1745 191 191 LEU CA C 55.07 0.0 1 1746 191 191 LEU CB C 42.491 0.0 1 1747 191 191 LEU CD1 C 24.922 0.0 2 1748 191 191 LEU N N 123.324 0.0 1 1749 192 192 LEU H H 7.619 0.0 1 1750 192 192 LEU HA H 4.118 0.0 1 1751 192 192 LEU HB2 H 1.482 0.0 2 1752 192 192 LEU HD1 H 0.773 0.0 1 1753 192 192 LEU HD2 H 0.814 0.0 1 1754 192 192 LEU HG H 1.472 0.0 1 1755 192 192 LEU CA C 56.499 0.0 1 1756 192 192 LEU CB C 43.487 0.0 1 1757 192 192 LEU CD1 C 23.546 0.0 1 1758 192 192 LEU CD2 C 25.198 0.0 1 1759 192 192 LEU CG C 26.967 0.0 1 1760 192 192 LEU N N 128.298 0.0 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts loop_ _Experiment_label '3D 1H-13C NOESY' stop_ loop_ _Sample_label $13C,15N_Rac1 $13C,15N_HR1b stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'PRK1 HR1b' 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 1120 2 ILE HA H 4.421 0.0 1 2 1120 2 ILE HB H 1.765 0.0 1 3 1120 2 ILE HD1 H 0.782 0.0 1 4 1120 2 ILE HG12 H 1.116 0.0 1 5 1120 2 ILE HG13 H 1.448738 0.0 1 6 1120 2 ILE HG2 H 0.906 0.0 1 7 1120 2 ILE CA C 58.963 0.0 1 8 1120 2 ILE CB C 38.671 0.0 1 9 1120 2 ILE CD1 C 12.88544 0.0 1 10 1120 2 ILE CG1 C 26.84709 0.0 1 11 1120 2 ILE CG2 C 17.234 0.0 1 12 1121 3 PRO HA H 4.358 0.0 1 13 1121 3 PRO HB2 H 1.844 0.0 1 14 1121 3 PRO HB3 H 2.254611 0.0 1 15 1121 3 PRO HD2 H 3.633218 0.0 1 16 1121 3 PRO HD3 H 3.854 0.0 1 17 1121 3 PRO HG2 H 1.930935 0.0 1 18 1121 3 PRO HG3 H 1.990503 0.0 1 19 1121 3 PRO CA C 63.339 0.0 1 20 1121 3 PRO CB C 31.935 0.0 1 21 1121 3 PRO CD C 51.023 0.0 1 22 1121 3 PRO CG C 27.433 0.0 1 23 1122 4 ALA H H 8.414 0.0 1 24 1122 4 ALA HA H 4.249 0.0 1 25 1122 4 ALA HB H 1.364 0.0 1 26 1122 4 ALA CA C 52.79 0.0 1 27 1122 4 ALA CB C 19.058 0.0 1 28 1122 4 ALA N N 124.374 0.0 1 29 1123 5 THR H H 8.048 0.0 1 30 1123 5 THR HA H 4.249 0.0 1 31 1123 5 THR HB H 4.184 0.0 1 32 1123 5 THR HG2 H 1.156 0.0 1 33 1123 5 THR CA C 62.194 0.0 1 34 1123 5 THR CB C 69.67 0.0 1 35 1123 5 THR CG2 C 21.78 0.0 1 36 1123 5 THR N N 112.098 0.0 1 37 1124 6 ASN H H 8.433 0.0 1 38 1124 6 ASN HA H 4.626 0.0 1 39 1124 6 ASN HB2 H 2.732 0.0 1 40 1124 6 ASN HB3 H 2.809 0.0 1 41 1124 6 ASN HD21 H 6.913 0.0 1 42 1124 6 ASN HD22 H 7.635 0.0 1 43 1124 6 ASN CA C 53.851 0.0 1 44 1124 6 ASN CB C 38.384 0.0 1 45 1124 6 ASN N N 120.649 0.0 1 46 1124 6 ASN ND2 N 112.418 0.0 1 47 1125 7 LEU H H 8.058 0.0 1 48 1125 7 LEU HA H 4.196 0.0 1 49 1125 7 LEU HB2 H 1.526 0.0 1 50 1125 7 LEU HB3 H 1.597 0.0 1 51 1125 7 LEU HD1 H 0.819 0.0 2 52 1125 7 LEU CA C 56.299 0.0 1 53 1125 7 LEU CB C 41.825 0.0 1 54 1125 7 LEU N N 121.57 0.0 1 55 1126 8 SER H H 8.257 0.0 1 56 1126 8 SER HA H 4.299 0.0 1 57 1126 8 SER HB2 H 3.892 0.0 1 58 1126 8 SER HB3 H 4.025 0.0 1 59 1126 8 SER CA C 59.455 0.0 1 60 1126 8 SER CB C 63.235 0.0 1 61 1126 8 SER N N 116.058 0.0 1 62 1127 9 ARG HA H 4.116891 0.0 1 63 1127 9 ARG HB2 H 1.866574 0.0 2 64 1127 9 ARG HD2 H 3.170302 0.0 2 65 1127 9 ARG HG2 H 1.535966 0.0 1 66 1127 9 ARG HG3 H 1.650427 0.0 1 67 1127 9 ARG CA C 58.432 0.0 1 68 1127 9 ARG CB C 29.99 0.0 1 69 1127 9 ARG CD C 43.267 0.0 1 70 1127 9 ARG CG C 27.09 0.0 1 71 1128 10 VAL H H 8.032243 0.0 1 72 1128 10 VAL HA H 3.455467 0.0 1 73 1128 10 VAL HB H 1.997 0.0 1 74 1128 10 VAL HG1 H 0.841 0.0 1 75 1128 10 VAL HG2 H 0.933 0.0 1 76 1128 10 VAL CA C 66.65 0.0 1 77 1128 10 VAL CB C 31.948 0.0 1 78 1128 10 VAL CG1 C 21.24722 0.0 1 79 1128 10 VAL CG2 C 23.13782 0.0 1 80 1128 10 VAL N N 118.515 0.0 1 81 1129 11 ALA H H 8.003 0.0 1 82 1129 11 ALA HA H 4.17 0.0 1 83 1129 11 ALA HB H 1.405 0.0 1 84 1129 11 ALA CA C 55.054 0.0 1 85 1129 11 ALA CB C 18.423 0.0 1 86 1129 11 ALA N N 121.16 0.0 1 87 1130 12 GLY H H 8.225965 0.0 1 88 1130 12 GLY HA2 H 3.854 0.0 1 89 1130 12 GLY HA3 H 3.917 0.0 1 90 1130 12 GLY CA C 47.086 0.0 1 91 1130 12 GLY N N 105.436 0.0 1 92 1131 13 LEU H H 7.866793 0.0 1 93 1131 13 LEU HA H 4.073 0.0 1 94 1131 13 LEU HB2 H 1.171 0.0 1 95 1131 13 LEU HB3 H 2.058 0.0 1 96 1131 13 LEU HD1 H 0.6800402 0.0 1 97 1131 13 LEU HD2 H 0.893 0.0 1 98 1131 13 LEU HG H 1.707 0.0 1 99 1131 13 LEU CA C 57.79 0.0 1 100 1131 13 LEU CB C 42.685 0.0 1 101 1131 13 LEU CD1 C 26.123 0.0 1 102 1131 13 LEU CD2 C 23.134 0.0 1 103 1131 13 LEU CG C 27.243 0.0 1 104 1131 13 LEU N N 124.009 0.0 1 105 1132 14 GLU H H 8.658 0.0 1 106 1132 14 GLU HA H 3.839 0.0 1 107 1132 14 GLU HB2 H 1.906 0.0 1 108 1132 14 GLU HB3 H 2.131 0.0 1 109 1132 14 GLU HG2 H 2.055 0.0 1 110 1132 14 GLU HG3 H 2.499 0.0 1 111 1132 14 GLU CA C 60.103 0.0 1 112 1132 14 GLU CB C 29.316 0.0 1 113 1132 14 GLU CG C 37.595 0.0 1 114 1132 14 GLU N N 118.527 0.0 1 115 1133 15 LYS H H 7.835 0.0 1 116 1133 15 LYS HA H 4.085 0.0 1 117 1133 15 LYS HB2 H 1.929659 0.0 2 118 1133 15 LYS HD2 H 1.653 0.0 2 119 1133 15 LYS HE2 H 2.888883 0.0 2 120 1133 15 LYS HG2 H 1.367483 0.0 1 121 1133 15 LYS HG3 H 1.54 0.0 1 122 1133 15 LYS CA C 59.395 0.0 1 123 1133 15 LYS CB C 32.162 0.0 1 124 1133 15 LYS CD C 29.294 0.0 1 125 1133 15 LYS CE C 42.069 0.0 1 126 1133 15 LYS CG C 25.19795 0.0 1 127 1133 15 LYS N N 120.272 0.0 1 128 1134 16 GLN H H 7.845 0.0 1 129 1134 16 GLN HA H 3.934 0.0 1 130 1134 16 GLN HB2 H 2.112419 0.0 1 131 1134 16 GLN HB3 H 2.237 0.0 1 132 1134 16 GLN HE21 H 6.719 0.0 1 133 1134 16 GLN HE22 H 7.5 0.0 1 134 1134 16 GLN HG2 H 2.394 0.0 1 135 1134 16 GLN HG3 H 2.517 0.0 1 136 1134 16 GLN CA C 58.916 0.0 1 137 1134 16 GLN CB C 28.671 0.0 1 138 1134 16 GLN CG C 34.139 0.0 1 139 1134 16 GLN N N 118.39 0.0 1 140 1134 16 GLN NE2 N 111.324 0.0 1 141 1135 17 LEU H H 8.648 0.0 1 142 1135 17 LEU HA H 3.879 0.0 1 143 1135 17 LEU HB2 H 1.562 0.0 1 144 1135 17 LEU HB3 H 2.01 0.0 1 145 1135 17 LEU HD1 H 0.8180224 0.0 1 146 1135 17 LEU HD2 H 0.877 0.0 1 147 1135 17 LEU HG H 1.740789 0.0 1 148 1135 17 LEU CA C 58.285 0.0 1 149 1135 17 LEU CB C 41.608 0.0 1 150 1135 17 LEU CD1 C 26.03081 0.0 1 151 1135 17 LEU CD2 C 24.68063 0.0 1 152 1135 17 LEU CG C 27.42398 0.0 1 153 1135 17 LEU N N 120.435 0.0 1 154 1136 18 ALA H H 7.653206 0.0 1 155 1136 18 ALA HA H 3.988 0.0 1 156 1136 18 ALA HB H 1.505 0.0 1 157 1136 18 ALA CA C 55.27 0.0 1 158 1136 18 ALA CB C 17.956 0.0 1 159 1136 18 ALA N N 118.807 0.0 1 160 1137 19 ILE H H 7.66 0.0 1 161 1137 19 ILE HA H 3.612 0.0 1 162 1137 19 ILE HB H 1.93 0.0 1 163 1137 19 ILE HD1 H 0.766 0.0 1 164 1137 19 ILE HG12 H 1.035 0.0 1 165 1137 19 ILE HG13 H 1.648 0.0 1 166 1137 19 ILE HG2 H 0.815 0.0 1 167 1137 19 ILE CA C 65.152 0.0 1 168 1137 19 ILE CB C 38.222 0.0 1 169 1137 19 ILE CD1 C 13.424 0.0 1 170 1137 19 ILE CG1 C 29.237 0.0 1 171 1137 19 ILE CG2 C 16.911 0.0 1 172 1137 19 ILE N N 118.288 0.0 1 173 1138 20 GLU H H 8.191 0.0 1 174 1138 20 GLU HA H 4.076 0.0 1 175 1138 20 GLU HB2 H 1.888 0.0 2 176 1138 20 GLU HG2 H 2.152 0.0 1 177 1138 20 GLU HG3 H 2.329 0.0 1 178 1138 20 GLU CA C 58.505 0.0 1 179 1138 20 GLU CG C 36.435 0.0 1 180 1138 20 GLU N N 120.424 0.0 1 181 1139 21 LEU H H 8.698 0.0 1 182 1139 21 LEU HA H 3.937 0.0 1 183 1139 21 LEU HB2 H 1.369835 0.0 1 184 1139 21 LEU HB3 H 1.826 0.0 1 185 1139 21 LEU HD1 H 0.813376 0.0 1 186 1139 21 LEU HD2 H 0.845 0.0 1 187 1139 21 LEU HG H 1.71437 0.0 1 188 1139 21 LEU CA C 58.286 0.0 1 189 1139 21 LEU CB C 41.628 0.0 1 190 1139 21 LEU CD1 C 25.743 0.0 1 191 1139 21 LEU CD2 C 23.20416 0.0 1 192 1139 21 LEU CG C 27.467 0.0 1 193 1139 21 LEU N N 118.812 0.0 1 194 1140 22 LYS H H 7.384542 0.0 1 195 1140 22 LYS HA H 4.141747 0.0 1 196 1140 22 LYS HB2 H 1.936288 0.0 1 197 1140 22 LYS HB3 H 2.03656 0.0 1 198 1140 22 LYS HD2 H 1.625957 0.0 2 199 1140 22 LYS HE2 H 2.904 0.0 2 200 1140 22 LYS HG2 H 1.398067 0.0 1 201 1140 22 LYS HG3 H 1.606 0.0 1 202 1140 22 LYS CA C 59.314 0.0 1 203 1140 22 LYS CB C 31.95 0.0 1 204 1140 22 LYS CD C 29.13 0.0 1 205 1140 22 LYS CE C 42.05 0.0 1 206 1140 22 LYS CG C 25.36488 0.0 1 207 1140 22 LYS N N 119.855 0.0 1 208 1141 23 VAL H H 8.024 0.0 1 209 1141 23 VAL HA H 3.59 0.0 1 210 1141 23 VAL HB H 2.345 0.0 1 211 1141 23 VAL HG1 H 0.8825769 0.0 1 212 1141 23 VAL HG2 H 0.9797797 0.0 1 213 1141 23 VAL CA C 66.72 0.0 1 214 1141 23 VAL CB C 31.191 0.0 1 215 1141 23 VAL CG1 C 21.524 0.0 1 216 1141 23 VAL CG2 C 22.32216 0.0 1 217 1141 23 VAL N N 124.026 0.0 1 218 1142 24 LYS H H 8.457918 0.0 1 219 1142 24 LYS HA H 3.761 0.0 1 220 1142 24 LYS HB2 H 1.905823 0.0 1 221 1142 24 LYS HB3 H 2.012 0.0 1 222 1142 24 LYS HD2 H 1.487 0.0 2 223 1142 24 LYS HE2 H 2.72 0.0 1 224 1142 24 LYS HE3 H 2.917 0.0 1 225 1142 24 LYS HG2 H 1.233 0.0 2 226 1142 24 LYS CA C 60.475 0.0 1 227 1142 24 LYS CB C 32.487 0.0 1 228 1142 24 LYS CD C 30.343 0.0 1 229 1142 24 LYS CE C 42.04 0.0 1 230 1142 24 LYS CG C 24.679 0.0 1 231 1142 24 LYS N N 121.789 0.0 1 232 1143 25 GLN H H 7.866 0.0 1 233 1143 25 GLN HA H 4.101 0.0 1 234 1143 25 GLN HB2 H 2.128 0.0 2 235 1143 25 GLN HE21 H 6.889 0.0 1 236 1143 25 GLN HE22 H 7.409 0.0 1 237 1143 25 GLN HG2 H 2.308 0.0 1 238 1143 25 GLN HG3 H 2.455 0.0 1 239 1143 25 GLN CA C 58.542 0.0 1 240 1143 25 GLN CB C 28.455 0.0 1 241 1143 25 GLN CG C 33.999 0.0 1 242 1143 25 GLN N N 117.202 0.0 1 243 1143 25 GLN NE2 N 112.318 0.0 1 244 1144 26 GLY H H 8.268 0.0 1 245 1144 26 GLY HA2 H 3.864 0.0 2 246 1144 26 GLY CA C 47.393 0.0 1 247 1144 26 GLY N N 107.342 0.0 1 248 1145 27 ALA H H 8.542 0.0 1 249 1145 27 ALA HA H 4.139 0.0 1 250 1145 27 ALA HB H 1.510956 0.0 1 251 1145 27 ALA CA C 55.599 0.0 1 252 1145 27 ALA CB C 17.862 0.0 1 253 1145 27 ALA N N 125.659 0.0 1 254 1146 28 GLU H H 8.495257 0.0 1 255 1146 28 GLU HA H 3.877 0.0 1 256 1146 28 GLU HB2 H 1.900259 0.0 1 257 1146 28 GLU HB3 H 2.285856 0.0 1 258 1146 28 GLU HG2 H 2.157 0.0 1 259 1146 28 GLU HG3 H 2.544 0.0 1 260 1146 28 GLU CA C 60.032 0.0 1 261 1146 28 GLU CB C 29.179 0.0 1 262 1146 28 GLU CG C 37.828 0.0 1 263 1146 28 GLU N N 117.442 0.0 1 264 1147 29 ASN H H 8.254 0.0 1 265 1147 29 ASN HA H 4.415 0.0 1 266 1147 29 ASN HB2 H 2.863881 0.0 1 267 1147 29 ASN HB3 H 2.968194 0.0 1 268 1147 29 ASN HD21 H 6.874 0.0 1 269 1147 29 ASN HD22 H 7.567539 0.0 1 270 1147 29 ASN CA C 56.072 0.0 1 271 1147 29 ASN CB C 38.057 0.0 1 272 1147 29 ASN N N 118.754 0.0 1 273 1147 29 ASN ND2 N 111.366 0.0 1 274 1148 30 MET H H 8.135 0.0 1 275 1148 30 MET HB2 H 1.973 0.0 2 276 1148 30 MET HE H 1.941 0.0 1 277 1148 30 MET HG2 H 2.343 0.0 2 278 1148 30 MET CA C 59.005 0.0 1 279 1148 30 MET CE C 17.417 0.0 1 280 1148 30 MET N N 121.069 0.0 1 281 1149 31 ILE H H 8.335 0.0 1 282 1149 31 ILE HA H 3.456 0.0 1 283 1149 31 ILE HB H 1.891 0.0 1 284 1149 31 ILE HD1 H 0.79 0.0 1 285 1149 31 ILE HG12 H 0.814 0.0 1 286 1149 31 ILE HG13 H 1.84165 0.0 1 287 1149 31 ILE HG2 H 0.825 0.0 1 288 1149 31 ILE CA C 65.931 0.0 1 289 1149 31 ILE CB C 38.253 0.0 1 290 1149 31 ILE CD1 C 15.213 0.0 1 291 1149 31 ILE CG1 C 30.691 0.0 1 292 1149 31 ILE CG2 C 16.807 0.0 1 293 1149 31 ILE N N 119.968 0.0 1 294 1150 32 GLN H H 7.685 0.0 1 295 1150 32 GLN HA H 3.927 0.0 1 296 1150 32 GLN HB2 H 2.173 0.0 2 297 1150 32 GLN HE21 H 6.74 0.0 1 298 1150 32 GLN HE22 H 7.616 0.0 1 299 1150 32 GLN HG2 H 2.369 0.0 1 300 1150 32 GLN HG3 H 2.427 0.0 1 301 1150 32 GLN CA C 58.921 0.0 1 302 1150 32 GLN CB C 28.0639 0.0 1 303 1150 32 GLN CG C 33.631 0.0 1 304 1150 32 GLN N N 118.823 0.0 1 305 1150 32 GLN NE2 N 113.188 0.0 1 306 1151 33 THR H H 7.904 0.0 1 307 1151 33 THR HA H 3.799 0.0 1 308 1151 33 THR HB H 3.8 0.0 1 309 1151 33 THR HG2 H 0.787 0.0 1 310 1151 33 THR CA C 66.113 0.0 1 311 1151 33 THR CB C 68.823 0.0 1 312 1151 33 THR CG2 C 21.228 0.0 1 313 1151 33 THR N N 115.598 0.0 1 314 1152 34 TYR H H 8.101 0.0 1 315 1152 34 TYR HA H 4.663 0.0 1 316 1152 34 TYR HB2 H 3.408 0.0 1 317 1152 34 TYR HB3 H 2.618 0.0 1 318 1152 34 TYR HD1 H 7.012 0.0 3 319 1152 34 TYR HE1 H 6.677 0.0 3 320 1152 34 TYR CA C 59.03 0.0 1 321 1152 34 TYR CB C 37.494 0.0 1 322 1152 34 TYR CD1 C 132.496 0.0 3 323 1152 34 TYR CE1 C 118.237 0.0 3 324 1152 34 TYR N N 118.152 0.0 1 325 1153 35 SER H H 7.842 0.0 1 326 1153 35 SER HA H 4.39 0.0 1 327 1153 35 SER HB2 H 3.882 0.0 1 328 1153 35 SER HB3 H 3.951 0.0 1 329 1153 35 SER CA C 59.719 0.0 1 330 1153 35 SER CB C 63.816 0.0 1 331 1153 35 SER N N 114.117 0.0 1 332 1154 36 ASN H H 7.641 0.0 1 333 1154 36 ASN HA H 4.784 0.0 1 334 1154 36 ASN HB2 H 2.762 0.0 2 335 1154 36 ASN HD21 H 7.031 0.0 1 336 1154 36 ASN HD22 H 7.624 0.0 1 337 1154 36 ASN CA C 53.23 0.0 1 338 1154 36 ASN CB C 40.396 0.0 1 339 1154 36 ASN N N 118.195 0.0 1 340 1154 36 ASN ND2 N 113.651 0.0 1 341 1155 37 GLY H H 8.154 0.0 1 342 1155 37 GLY CA C 45.621 0.0 1 343 1155 37 GLY N N 107.355 0.0 1 344 1157 39 THR HA H 3.909132 0.0 1 345 1157 39 THR HG2 H 1.147059 0.0 1 346 1157 39 THR CG2 C 21.84111 0.0 1 347 1158 40 LYS HA H 4.025 0.0 1 348 1158 40 LYS HB2 H 1.642 0.0 2 349 1158 40 LYS HD2 H 1.583 0.0 2 350 1158 40 LYS HE2 H 2.919 0.0 2 351 1158 40 LYS HG2 H 1.248 0.0 1 352 1158 40 LYS HG3 H 1.331 0.0 1 353 1158 40 LYS CA C 57.272 0.0 1 354 1158 40 LYS CB C 32.629 0.0 1 355 1158 40 LYS CD C 29.135 0.0 1 356 1158 40 LYS CE C 42.025 0.0 1 357 1158 40 LYS CG C 24.546 0.0 1 358 1159 41 ASP H H 8.008 0.0 1 359 1159 41 ASP HB2 H 2.57 0.0 1 360 1159 41 ASP HB3 H 2.738 0.0 1 361 1159 41 ASP N N 121.13 0.0 1 362 1160 42 ARG HA H 3.96865 0.0 1 363 1160 42 ARG HB2 H 1.853969 0.0 2 364 1160 42 ARG HD2 H 3.169107 0.0 2 365 1160 42 ARG HG2 H 1.664446 0.0 2 366 1160 42 ARG CA C 59.28324 0.0 1 367 1160 42 ARG CB C 30.02858 0.0 1 368 1160 42 ARG CD C 43.27 0.0 1 369 1160 42 ARG CG C 27.466 0.0 1 370 1161 43 LYS H H 8.108718 0.0 1 371 1161 43 LYS HA H 3.948521 0.0 1 372 1161 43 LYS HB2 H 1.8 0.0 1 373 1161 43 LYS HB3 H 1.839 0.0 1 374 1161 43 LYS HD2 H 1.621 0.0 2 375 1161 43 LYS HE2 H 2.893624 0.0 2 376 1161 43 LYS HG2 H 1.316828 0.0 1 377 1161 43 LYS HG3 H 1.439165 0.0 1 378 1161 43 LYS CA C 59.51 0.0 1 379 1161 43 LYS CB C 31.976 0.0 1 380 1161 43 LYS CD C 29.10365 0.0 1 381 1161 43 LYS CE C 41.997 0.0 1 382 1161 43 LYS CG C 25.1932 0.0 1 383 1161 43 LYS N N 118.693 0.0 1 384 1162 44 LEU H H 7.662 0.0 1 385 1162 44 LEU HA H 3.893 0.0 1 386 1162 44 LEU HB2 H 0.845 0.0 1 387 1162 44 LEU HB3 H 1.12 0.0 1 388 1162 44 LEU HD1 H 0.624 0.0 1 389 1162 44 LEU HD2 H 0.634 0.0 1 390 1162 44 LEU HG H 1.37 0.0 1 391 1162 44 LEU CA C 57.456 0.0 1 392 1162 44 LEU CB C 40.246 0.0 1 393 1162 44 LEU CD1 C 22.957 0.0 1 394 1162 44 LEU CD2 C 25.193 0.0 1 395 1162 44 LEU CG C 26.986 0.0 1 396 1162 44 LEU N N 120.509 0.0 1 397 1163 45 LEU H H 7.708 0.0 1 398 1163 45 LEU HA H 3.887 0.0 1 399 1163 45 LEU HB2 H 1.359 0.0 1 400 1163 45 LEU HB3 H 1.803 0.0 1 401 1163 45 LEU HD1 H 0.794 0.0 1 402 1163 45 LEU HD2 H 0.884 0.0 1 403 1163 45 LEU HG H 1.410096 0.0 1 404 1163 45 LEU CA C 58.23 0.0 1 405 1163 45 LEU CB C 41.466 0.0 1 406 1163 45 LEU CD1 C 25.505 0.0 1 407 1163 45 LEU CD2 C 24.62 0.0 1 408 1163 45 LEU CG C 26.90722 0.0 1 409 1163 45 LEU N N 120.072 0.0 1 410 1164 46 LEU H H 7.806 0.0 1 411 1164 46 LEU HA H 4.08 0.0 1 412 1164 46 LEU HB2 H 1.56 0.0 1 413 1164 46 LEU HB3 H 1.77 0.0 1 414 1164 46 LEU HD1 H 0.83 0.0 1 415 1164 46 LEU HD2 H 0.861 0.0 1 416 1164 46 LEU HG H 1.707 0.0 1 417 1164 46 LEU CA C 58.117 0.0 1 418 1164 46 LEU CB C 41.56943 0.0 1 419 1164 46 LEU CD1 C 23.527 0.0 1 420 1164 46 LEU CD2 C 24.858 0.0 1 421 1164 46 LEU CG C 27.173 0.0 1 422 1164 46 LEU N N 118.24 0.0 1 423 1165 47 THR H H 7.845 0.0 1 424 1165 47 THR HA H 3.933 0.0 1 425 1165 47 THR HB H 4.21804 0.0 1 426 1165 47 THR HG2 H 1.195 0.0 1 427 1165 47 THR CA C 66.72351 0.0 1 428 1165 47 THR CB C 68.748 0.0 1 429 1165 47 THR CG2 C 21.845 0.0 1 430 1165 47 THR N N 115.95 0.0 1 431 1166 48 ALA H H 8.199 0.0 1 432 1166 48 ALA HA H 4.1 0.0 1 433 1166 48 ALA HB H 1.589 0.0 1 434 1166 48 ALA CA C 55.567 0.0 1 435 1166 48 ALA CB C 18.994 0.0 1 436 1166 48 ALA N N 125.29 0.0 1 437 1167 49 GLN H H 8.624 0.0 1 438 1167 49 GLN HA H 3.94 0.0 1 439 1167 49 GLN HB2 H 1.95 0.0 1 440 1167 49 GLN HB3 H 2.317 0.0 1 441 1167 49 GLN HE21 H 6.606 0.0 1 442 1167 49 GLN HE22 H 7.107 0.0 1 443 1167 49 GLN HG2 H 2.305 0.0 1 444 1167 49 GLN HG3 H 2.583 0.0 1 445 1167 49 GLN CA C 59.32 0.0 1 446 1167 49 GLN CB C 28.278 0.0 1 447 1167 49 GLN CG C 34.088 0.0 1 448 1167 49 GLN N N 116.912 0.0 1 449 1167 49 GLN NE2 N 109.092 0.0 1 450 1168 50 GLN H H 8.01 0.0 1 451 1168 50 GLN HA H 3.982 0.0 1 452 1168 50 GLN HB2 H 2.161596 0.0 1 453 1168 50 GLN HB3 H 2.224349 0.0 1 454 1168 50 GLN HE21 H 6.774 0.0 1 455 1168 50 GLN HE22 H 7.417 0.0 1 456 1168 50 GLN HG2 H 2.347 0.0 1 457 1168 50 GLN HG3 H 2.39 0.0 1 458 1168 50 GLN CA C 58.737 0.0 1 459 1168 50 GLN CB C 28.053 0.0 1 460 1168 50 GLN CG C 33.625 0.0 1 461 1168 50 GLN N N 120.716 0.0 1 462 1168 50 GLN NE2 N 111.841 0.0 1 463 1169 51 MET H H 8.239 0.0 1 464 1169 51 MET HA H 4.109 0.0 1 465 1169 51 MET HB2 H 2.015 0.0 1 466 1169 51 MET HB3 H 2.201992 0.0 1 467 1169 51 MET HE H 2.027 0.0 1 468 1169 51 MET HG2 H 2.429389 0.0 1 469 1169 51 MET HG3 H 2.715256 0.0 1 470 1169 51 MET CA C 58.715 0.0 1 471 1169 51 MET CB C 32.934 0.0 1 472 1169 51 MET CE C 17.458 0.0 1 473 1169 51 MET CG C 31.8024 0.0 1 474 1169 51 MET N N 119.51 0.0 1 475 1170 52 LEU H H 8.384471 0.0 1 476 1170 52 LEU HA H 3.896 0.0 1 477 1170 52 LEU HB2 H 1.479 0.0 1 478 1170 52 LEU HB3 H 2.056984 0.0 1 479 1170 52 LEU HD1 H 0.9038467 0.0 1 480 1170 52 LEU HD2 H 1.025102 0.0 1 481 1170 52 LEU HG H 1.503 0.0 1 482 1170 52 LEU CA C 58.287 0.0 1 483 1170 52 LEU CB C 41.844 0.0 1 484 1170 52 LEU CD1 C 26.295 0.0 1 485 1170 52 LEU CD2 C 25.18591 0.0 1 486 1170 52 LEU CG C 27.213 0.0 1 487 1170 52 LEU N N 120.451 0.0 1 488 1171 53 GLN H H 7.855254 0.0 1 489 1171 53 GLN HA H 3.942 0.0 1 490 1171 53 GLN HB2 H 2.143 0.0 2 491 1171 53 GLN HE21 H 6.873 0.0 1 492 1171 53 GLN HE22 H 7.381 0.0 1 493 1171 53 GLN HG2 H 2.424 0.0 2 494 1171 53 GLN CA C 58.882 0.0 1 495 1171 53 GLN CB C 28.198 0.0 1 496 1171 53 GLN CG C 33.62 0.0 1 497 1171 53 GLN N N 118.243 0.0 1 498 1171 53 GLN NE2 N 112.113 0.0 1 499 1172 54 ASP H H 8.457 0.0 1 500 1172 54 ASP HA H 4.352 0.0 1 501 1172 54 ASP HB2 H 2.636 0.0 1 502 1172 54 ASP HB3 H 2.782 0.0 1 503 1172 54 ASP CA C 57.56 0.0 1 504 1172 54 ASP CB C 40.66 0.0 1 505 1172 54 ASP N N 119.875 0.0 1 506 1173 55 SER H H 8.213 0.0 1 507 1173 55 SER HA H 4.297 0.0 1 508 1173 55 SER HB2 H 3.853 0.0 1 509 1173 55 SER HB3 H 3.922 0.0 1 510 1173 55 SER CA C 62.198 0.0 1 511 1173 55 SER CB C 63.776 0.0 1 512 1173 55 SER N N 116.239 0.0 1 513 1174 56 LYS H H 8.388626 0.0 1 514 1174 56 LYS HA H 3.807 0.0 1 515 1174 56 LYS HB2 H 1.902 0.0 2 516 1174 56 LYS HD2 H 1.566397 0.0 2 517 1174 56 LYS HE2 H 2.823 0.0 1 518 1174 56 LYS HE3 H 2.907 0.0 1 519 1174 56 LYS HG2 H 1.298 0.0 1 520 1174 56 LYS HG3 H 1.654 0.0 1 521 1174 56 LYS CA C 60.65 0.0 1 522 1174 56 LYS CB C 32.001 0.0 1 523 1174 56 LYS CD C 29.672 0.0 1 524 1174 56 LYS CE C 42.026 0.0 1 525 1174 56 LYS CG C 26.048 0.0 1 526 1174 56 LYS N N 120.084 0.0 1 527 1175 57 THR H H 7.953 0.0 1 528 1175 57 THR HA H 3.913 0.0 1 529 1175 57 THR HB H 4.302327 0.0 1 530 1175 57 THR HG2 H 1.212 0.0 1 531 1175 57 THR CA C 66.621 0.0 1 532 1175 57 THR CB C 68.908 0.0 1 533 1175 57 THR CG2 C 21.852 0.0 1 534 1175 57 THR N N 115.761 0.0 1 535 1176 58 LYS H H 7.829 0.0 1 536 1176 58 LYS HA H 3.874525 0.0 1 537 1176 58 LYS HB2 H 1.724 0.0 1 538 1176 58 LYS HB3 H 1.89493 0.0 1 539 1176 58 LYS HD2 H 1.539 0.0 1 540 1176 58 LYS HD3 H 1.588 0.0 1 541 1176 58 LYS HE2 H 2.794 0.0 1 542 1176 58 LYS HE3 H 2.837 0.0 1 543 1176 58 LYS HG2 H 1.318 0.0 1 544 1176 58 LYS HG3 H 1.549 0.0 1 545 1176 58 LYS CA C 59.972 0.0 1 546 1176 58 LYS CB C 32.634 0.0 1 547 1176 58 LYS CD C 29.155 0.0 1 548 1176 58 LYS CE C 41.952 0.0 1 549 1176 58 LYS CG C 25.75506 0.0 1 550 1176 58 LYS N N 121.239 0.0 1 551 1177 59 ILE H H 8.84 0.0 1 552 1177 59 ILE HA H 3.348 0.0 1 553 1177 59 ILE HB H 1.848 0.0 1 554 1177 59 ILE HD1 H 0.727 0.0 1 555 1177 59 ILE HG12 H 0.678 0.0 1 556 1177 59 ILE HG13 H 1.851 0.0 1 557 1177 59 ILE HG2 H 0.82 0.0 1 558 1177 59 ILE CA C 66.363 0.0 1 559 1177 59 ILE CB C 38.198 0.0 1 560 1177 59 ILE CD1 C 14.984 0.0 1 561 1177 59 ILE CG1 C 31.39177 0.0 1 562 1177 59 ILE CG2 C 17.228 0.0 1 563 1177 59 ILE N N 119.995 0.0 1 564 1178 60 ASP H H 7.712 0.0 1 565 1178 60 ASP HA H 4.349 0.0 1 566 1178 60 ASP HB2 H 2.631 0.0 1 567 1178 60 ASP HB3 H 2.826811 0.0 1 568 1178 60 ASP CA C 57.886 0.0 1 569 1178 60 ASP CB C 40.415 0.0 1 570 1178 60 ASP N N 118.989 0.0 1 571 1179 61 ILE H H 7.69 0.0 1 572 1179 61 ILE HA H 3.707 0.0 1 573 1179 61 ILE HB H 1.958 0.0 1 574 1179 61 ILE HD1 H 0.785 0.0 1 575 1179 61 ILE HG12 H 1.078 0.0 1 576 1179 61 ILE HG13 H 1.754 0.0 1 577 1179 61 ILE HG2 H 0.828957 0.0 1 578 1179 61 ILE CA C 65.162 0.0 1 579 1179 61 ILE CB C 38.254 0.0 1 580 1179 61 ILE CD1 C 13.401 0.0 1 581 1179 61 ILE CG1 C 29.157 0.0 1 582 1179 61 ILE CG2 C 17.055 0.0 1 583 1179 61 ILE N N 120.884 0.0 1 584 1180 62 ILE H H 8.587 0.0 1 585 1180 62 ILE HA H 3.653 0.0 1 586 1180 62 ILE HB H 1.722 0.0 1 587 1180 62 ILE HD1 H 0.698 0.0 1 588 1180 62 ILE HG12 H 0.8849284 0.0 1 589 1180 62 ILE HG13 H 1.760155 0.0 1 590 1180 62 ILE HG2 H 0.895 0.0 1 591 1180 62 ILE CA C 65.587 0.0 1 592 1180 62 ILE CB C 38.049 0.0 1 593 1180 62 ILE CD1 C 14.401 0.0 1 594 1180 62 ILE CG1 C 29.304 0.0 1 595 1180 62 ILE CG2 C 19.588 0.0 1 596 1180 62 ILE N N 121.683 0.0 1 597 1181 63 ARG H H 8.918 0.0 1 598 1181 63 ARG HA H 3.865 0.0 1 599 1181 63 ARG HB2 H 1.51963 0.0 1 600 1181 63 ARG HB3 H 1.934 0.0 1 601 1181 63 ARG HD2 H 3.101 0.0 1 602 1181 63 ARG HD3 H 3.155 0.0 1 603 1181 63 ARG HG2 H 1.755 0.0 2 604 1181 63 ARG CA C 60.874 0.0 1 605 1181 63 ARG CB C 29.639 0.0 1 606 1181 63 ARG CD C 43.63 0.0 1 607 1181 63 ARG CG C 29.575 0.0 1 608 1181 63 ARG N N 117.365 0.0 1 609 1182 64 MET H H 7.783 0.0 1 610 1182 64 MET HA H 4.173 0.0 1 611 1182 64 MET HB2 H 2.245 0.0 2 612 1182 64 MET HE H 2.052 0.0 1 613 1182 64 MET HG2 H 2.541 0.0 1 614 1182 64 MET HG3 H 2.669651 0.0 1 615 1182 64 MET CA C 58.758 0.0 1 616 1182 64 MET CB C 31.951 0.0 1 617 1182 64 MET CE C 17.069 0.0 1 618 1182 64 MET CG C 31.947 0.0 1 619 1182 64 MET N N 119.339 0.0 1 620 1183 65 GLN H H 8.284709 0.0 1 621 1183 65 GLN HA H 3.899 0.0 1 622 1183 65 GLN HB2 H 1.972 0.0 1 623 1183 65 GLN HB3 H 2.326 0.0 1 624 1183 65 GLN HE21 H 6.614 0.0 1 625 1183 65 GLN HE22 H 6.971 0.0 1 626 1183 65 GLN HG2 H 2.305 0.0 1 627 1183 65 GLN HG3 H 2.589 0.0 1 628 1183 65 GLN CA C 59.139 0.0 1 629 1183 65 GLN CB C 29.188 0.0 1 630 1183 65 GLN CG C 34.327 0.0 1 631 1183 65 GLN N N 120.131 0.0 1 632 1183 65 GLN NE2 N 109.206 0.0 1 633 1184 66 LEU H H 9.02 0.0 1 634 1184 66 LEU HA H 3.947 0.0 1 635 1184 66 LEU HB2 H 1.664 0.0 2 636 1184 66 LEU HD1 H 0.8911121 0.0 2 637 1184 66 LEU HG H 1.595 0.0 1 638 1184 66 LEU CA C 58.296 0.0 1 639 1184 66 LEU CB C 42.235 0.0 1 640 1184 66 LEU CD1 C 25.69522 0.0 2 641 1184 66 LEU CG C 27.481 0.0 1 642 1184 66 LEU N N 122.556 0.0 1 643 1185 67 ARG H H 7.92 0.0 1 644 1185 67 ARG HA H 3.929 0.0 1 645 1185 67 ARG HB2 H 1.882389 0.0 1 646 1185 67 ARG HB3 H 1.927132 0.0 1 647 1185 67 ARG HD2 H 3.16 0.0 2 648 1185 67 ARG HG2 H 1.54505 0.0 1 649 1185 67 ARG HG3 H 1.762 0.0 1 650 1185 67 ARG CA C 59.673 0.0 1 651 1185 67 ARG CB C 29.86465 0.0 1 652 1185 67 ARG CD C 43.721 0.0 1 653 1185 67 ARG CG C 27.461 0.0 1 654 1185 67 ARG N N 118.192 0.0 1 655 1186 68 ARG H H 7.676 0.0 1 656 1186 68 ARG HA H 3.993 0.0 1 657 1186 68 ARG HB2 H 1.857 0.0 2 658 1186 68 ARG HD2 H 3.13 0.0 2 659 1186 68 ARG HG2 H 1.619 0.0 1 660 1186 68 ARG HG3 H 1.758901 0.0 1 661 1186 68 ARG CA C 58.721 0.0 1 662 1186 68 ARG CB C 30.113 0.0 1 663 1186 68 ARG CD C 43.496 0.0 1 664 1186 68 ARG CG C 27.438 0.0 1 665 1186 68 ARG N N 117.014 0.0 1 666 1187 69 ALA H H 8.035 0.0 1 667 1187 69 ALA HA H 4.11 0.0 1 668 1187 69 ALA HB H 1.371 0.0 1 669 1187 69 ALA CA C 54.388 0.0 1 670 1187 69 ALA CB C 18.48479 0.0 1 671 1187 69 ALA N N 121.941 0.0 1 672 1188 70 LEU H H 8.002 0.0 1 673 1188 70 LEU HA H 4.101 0.0 1 674 1188 70 LEU HB2 H 1.488 0.0 1 675 1188 70 LEU HB3 H 1.758 0.0 1 676 1188 70 LEU HD1 H 0.8243731 0.0 1 677 1188 70 LEU HD2 H 0.8412992 0.0 1 678 1188 70 LEU HG H 1.69 0.0 1 679 1188 70 LEU CA C 56.388 0.0 1 680 1188 70 LEU CB C 42.123 0.0 1 681 1188 70 LEU CD1 C 25.464 0.0 1 682 1188 70 LEU CD2 C 23.4966 0.0 1 683 1188 70 LEU CG C 27.035 0.0 1 684 1188 70 LEU N N 117.452 0.0 1 685 1189 71 GLN H H 7.629026 0.0 1 686 1189 71 GLN HA H 4.139732 0.0 1 687 1189 71 GLN HB2 H 2.08481 0.0 1 688 1189 71 GLN HE21 H 6.748 0.0 1 689 1189 71 GLN HE22 H 7.456 0.0 1 690 1189 71 GLN HG2 H 2.337576 0.0 1 691 1189 71 GLN HG3 H 2.432 0.0 1 692 1189 71 GLN CA C 56.626 0.0 1 693 1189 71 GLN CB C 28.75695 0.0 1 694 1189 71 GLN CG C 34.149 0.0 1 695 1189 71 GLN N N 117.796 0.0 1 696 1189 71 GLN NE2 N 111.388 0.0 1 697 1190 72 ALA H H 7.9 0.0 1 698 1190 72 ALA HA H 4.168 0.0 1 699 1190 72 ALA HB H 1.382 0.0 1 700 1190 72 ALA CA C 53.715 0.0 1 701 1190 72 ALA CB C 18.666 0.0 1 702 1190 72 ALA N N 122.652 0.0 1 703 1191 73 ASP H H 8.086 0.0 1 704 1191 73 ASP HA H 4.491 0.0 1 705 1191 73 ASP HB2 H 2.617 0.0 1 706 1191 73 ASP HB3 H 2.64 0.0 1 707 1191 73 ASP CA C 55.134 0.0 1 708 1191 73 ASP CB C 40.983 0.0 1 709 1191 73 ASP N N 117.878 0.0 1 710 1192 74 GLN H H 7.987 0.0 1 711 1192 74 GLN HA H 4.195396 0.0 1 712 1192 74 GLN HB2 H 1.99 0.0 1 713 1192 74 GLN HB3 H 2.098456 0.0 1 714 1192 74 GLN HG2 H 2.307 0.0 2 715 1192 74 GLN CA C 56.304 0.0 1 716 1192 74 GLN CB C 29.089 0.0 1 717 1192 74 GLN CG C 33.96 0.0 1 718 1192 74 GLN N N 118.807 0.0 1 719 1193 75 LEU H H 8.037 0.0 1 720 1193 75 LEU HA H 4.189 0.0 1 721 1193 75 LEU HB2 H 1.525 0.0 1 722 1193 75 LEU HB3 H 1.639 0.0 1 723 1193 75 LEU HD1 H 0.7931783 0.0 1 724 1193 75 LEU HD2 H 0.8589498 0.0 1 725 1193 75 LEU HG H 1.599 0.0 1 726 1193 75 LEU CA C 55.478 0.0 1 727 1193 75 LEU CB C 42.139 0.0 1 728 1193 75 LEU CD1 C 23.412 0.0 1 729 1193 75 LEU CD2 C 25.17479 0.0 1 730 1193 75 LEU CG C 26.972 0.0 1 731 1193 75 LEU N N 121.514 0.0 1 732 1194 76 GLU H H 8.248 0.0 1 733 1194 76 GLU HA H 4.147084 0.0 1 734 1194 76 GLU HB2 H 1.856 0.0 1 735 1194 76 GLU HB3 H 1.979413 0.0 1 736 1194 76 GLU HG2 H 2.162 0.0 1 737 1194 76 GLU HG3 H 2.204 0.0 1 738 1194 76 GLU CA C 56.933 0.0 1 739 1194 76 GLU CB C 30.016 0.0 1 740 1194 76 GLU CG C 36.256 0.0 1 741 1194 76 GLU N N 119.952 0.0 1 742 1195 77 ASN H H 8.301 0.0 1 743 1195 77 ASN HA H 4.618 0.0 1 744 1195 77 ASN HB2 H 2.716 0.0 1 745 1195 77 ASN HB3 H 2.791626 0.0 1 746 1195 77 ASN HD21 H 6.845 0.0 1 747 1195 77 ASN HD22 H 7.553 0.0 1 748 1195 77 ASN CA C 53.437 0.0 1 749 1195 77 ASN CB C 38.761 0.0 1 750 1195 77 ASN N N 118.369 0.0 1 751 1195 77 ASN ND2 N 112.635 0.0 1 752 1196 78 GLN H H 8.221 0.0 1 753 1196 78 GLN HA H 4.25 0.0 1 754 1196 78 GLN HB2 H 1.922674 0.0 1 755 1196 78 GLN HB3 H 2.061024 0.0 1 756 1196 78 GLN HE21 H 6.761 0.0 1 757 1196 78 GLN HE22 H 7.47 0.0 1 758 1196 78 GLN HG2 H 2.313 0.0 2 759 1196 78 GLN CA C 56.009 0.0 1 760 1196 78 GLN CB C 29.295 0.0 1 761 1196 78 GLN CG C 33.908 0.0 1 762 1196 78 GLN N N 120.073 0.0 1 763 1196 78 GLN NE2 N 112.091 0.0 1 764 1197 79 ALA H H 8.172 0.0 1 765 1197 79 ALA HA H 4.235 0.0 1 766 1197 79 ALA HB H 1.321 0.0 1 767 1197 79 ALA CA C 52.231 0.0 1 768 1197 79 ALA CB C 19.184 0.0 1 769 1197 79 ALA N N 124.799 0.0 1 770 1198 80 ALA H H 8.122 0.0 1 771 1198 80 ALA HA H 4.499 0.0 1 772 1198 80 ALA HB H 1.289 0.0 1 773 1198 80 ALA CA C 50.239 0.0 1 774 1198 80 ALA CB C 18.085 0.0 1 775 1198 80 ALA N N 125.025 0.0 1 776 1199 81 PRO HA H 4.109 0.0 1 777 1199 81 PRO HB2 H 1.824 0.0 1 778 1199 81 PRO HB3 H 2.132 0.0 1 779 1199 81 PRO HD2 H 3.529 0.0 1 780 1199 81 PRO HD3 H 3.639 0.0 1 781 1199 81 PRO HG2 H 1.878 0.0 2 782 1199 81 PRO CA C 64.584 0.0 1 783 1199 81 PRO CB C 32.04 0.0 1 784 1199 81 PRO CD C 50.065 0.0 1 785 1199 81 PRO CG C 27.255 0.0 1 stop_ save_