data_4282 #Corrected using PDB structure: 1XNAA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 4 I HA 4.03 4.75 # 14 S HA 4.66 5.99 # 38 A HA 3.87 5.01 # 44 S HA 6.21 5.43 # 46 V HA 5.07 4.35 # 63 D HA 4.61 5.45 # 64 G HA 4.15 3.34 # 73 G HA 3.58 2.82 # 96 P HA 3.35 4.74 #129 K HA 5.47 4.48 #134 Q HA 4.19 5.21 #135 P HA 4.36 5.07 #141 P HA 4.38 5.18 #143 G HA 3.60 4.32 #151 S HA 5.67 4.51 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 3 E CB 30.62 35.69 # 29 T CB 69.52 75.70 # 94 M CB 40.52 34.63 #107 R CB 30.02 35.30 #134 Q CB 27.12 32.13 # #After reference correction, the following residues still #have a CO chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 24 L C 173.25 178.96 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 13 S N 126.47 116.23 # 14 S N 117.47 127.96 #143 G N 105.57 116.92 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted #144 L H 8.83 5.62 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.01 -0.35 0.02 -0.25 -0.63 -0.17 # #bmr4282.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4282.str file): #HA CA CB CO N HN #N/A -0.17 -0.17 -0.25 -0.63 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.15 +/-0.17 +/-0.15 +/-0.42 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.656 0.945 0.991 0.658 0.706 0.508 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.173 0.933 0.973 0.875 2.496 0.387 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C Resonance Assignments for the N-terminal 20 kDa Domain of the DNA Single-Strand Break Repair Protein XRCC1 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marintchev Assen G. . 2 Maciejewski Mark W. . 3 Mullen Gregory P. . stop_ _BMRB_accession_number 4282 _BMRB_flat_file_name bmr4282.str _Entry_type new _Submission_date 1998-12-10 _Accession_date 1998-12-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1025 "13C chemical shifts" 766 "15N chemical shifts" 187 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; 1H, 15N, and 13C Resonance Assignments for the N-terminal 20 kDa Domain of the DNA Single-Strand Break Repair Protein XRCC1 ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 99281465 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marintchev Assen G. . 2 Maciejewski Mark W. . 3 Mullen Gregory P. . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 13 _Page_first 393 _Page_last 394 _Year 1999 loop_ _Keyword "X-ray induced DNA damage" "DNA repair" "3D NMR" stop_ save_ ################################## # Molecular system description # ################################## save_system_XRCC1 _Saveframe_category molecular_system _Mol_system_name "XRCC1 N-terminal domain" _Abbreviation_common XRCC1 loop_ _Mol_system_component_name _Mol_label "XRCC1 NTD" $XRCC1_NTD stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1XNA "A Chain A, Nmr Solution Structure Of The Single-Strand Break Repair Protein Xrcc1-N-Terminal Domain" . PDB 1XNT "A Chain A, Nmr Solution Structure Of The Single-Strand Break Repair Protein Xrcc1-N-Terminal Domain" . stop_ save_ ######################## # Monomeric polymers # ######################## save_XRCC1_NTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "XRCC1 NTD" _Name_variant D179E _Abbreviation_common XRCC1 _Molecular_mass 20217 ############################## # Polymer residue sequence # ############################## _Residue_count 183 _Mol_residue_sequence ; MPEIRLRHVVSCSSQDSTHC AENLLKADTYRKWRAAKAGE KTISVVLQLEKEEQIHSVDI GNDGSAFVEVLVGSSAGGAG EQDYEVLLVTSSFMSPSESR SGSNPNRVRMFGPDKLVRAA AEKRWDRVKIVCSQPYSKDS PFGLSFVRFHSPPDKDEAEA PSQKVTVTKLGQFRVKEEEE SAN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 GLU 4 ILE 5 ARG 6 LEU 7 ARG 8 HIS 9 VAL 10 VAL 11 SER 12 CYS 13 SER 14 SER 15 GLN 16 ASP 17 SER 18 THR 19 HIS 20 CYS 21 ALA 22 GLU 23 ASN 24 LEU 25 LEU 26 LYS 27 ALA 28 ASP 29 THR 30 TYR 31 ARG 32 LYS 33 TRP 34 ARG 35 ALA 36 ALA 37 LYS 38 ALA 39 GLY 40 GLU 41 LYS 42 THR 43 ILE 44 SER 45 VAL 46 VAL 47 LEU 48 GLN 49 LEU 50 GLU 51 LYS 52 GLU 53 GLU 54 GLN 55 ILE 56 HIS 57 SER 58 VAL 59 ASP 60 ILE 61 GLY 62 ASN 63 ASP 64 GLY 65 SER 66 ALA 67 PHE 68 VAL 69 GLU 70 VAL 71 LEU 72 VAL 73 GLY 74 SER 75 SER 76 ALA 77 GLY 78 GLY 79 ALA 80 GLY 81 GLU 82 GLN 83 ASP 84 TYR 85 GLU 86 VAL 87 LEU 88 LEU 89 VAL 90 THR 91 SER 92 SER 93 PHE 94 MET 95 SER 96 PRO 97 SER 98 GLU 99 SER 100 ARG 101 SER 102 GLY 103 SER 104 ASN 105 PRO 106 ASN 107 ARG 108 VAL 109 ARG 110 MET 111 PHE 112 GLY 113 PRO 114 ASP 115 LYS 116 LEU 117 VAL 118 ARG 119 ALA 120 ALA 121 ALA 122 GLU 123 LYS 124 ARG 125 TRP 126 ASP 127 ARG 128 VAL 129 LYS 130 ILE 131 VAL 132 CYS 133 SER 134 GLN 135 PRO 136 TYR 137 SER 138 LYS 139 ASP 140 SER 141 PRO 142 PHE 143 GLY 144 LEU 145 SER 146 PHE 147 VAL 148 ARG 149 PHE 150 HIS 151 SER 152 PRO 153 PRO 154 ASP 155 LYS 156 ASP 157 GLU 158 ALA 159 GLU 160 ALA 161 PRO 162 SER 163 GLN 164 LYS 165 VAL 166 THR 167 VAL 168 THR 169 LYS 170 LEU 171 GLY 172 GLN 173 PHE 174 ARG 175 VAL 176 LYS 177 GLU 178 GLU 179 GLU 180 GLU 181 SER 182 ALA 183 ASN stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-06-17 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 1XNA "A Chain A, Nmr Solution Structure Of TheSingle-Strand Break Repair Protein Xrcc1-N-TerminalDomain" 100.00 183 100 100 10e-101 PDB 1XNT "A Chain A, Nmr Solution Structure Of TheSingle-Strand Break Repair Protein Xrcc1-N-TerminalDomain" 100.00 183 100 100 10e-101 EMBL CAG33009.1 "XRCC1 [Homo sapiens]" 28.91 633 99 100 10e-101 GenBank AAA63270.1 "DNA-repair protein" 28.91 633 99 100 10e-101 GenBank AAH23593.1 "X-ray repair cross complementing protein1 [Homo sapiens]" 28.91 633 99 100 10e-101 GenBank AAM34791.1 "X-ray repair complementing defectiverepair in Chinese hamster cells 1 [Homo sapiens]" 28.91 633 99 100 10e-101 PIR A36353 "DNA repair protein XRCC1 - human" 28.91 633 99 100 10e-101 REF NP_006288.1 "X-ray repair cross complementingprotein 1; X-ray-repair, complementing defective, repairin Chinese hamster; DNA repair protein XRCC1 [Homosapiens]" 28.91 633 99 100 10e-101 SWISS-PROT P18887 "XRC1_HUMAN DNA-repair protein XRCC1" 28.91 633 99 100 10e-101 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $XRCC1_NTD 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 $XRCC1_NTD 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $XRCC1_NTD . mM 2 4 '[U-15N; U-13C]' DTT 5 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 97 loop_ _Task "data processing" stop_ save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task "data analysis" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Details ; 2D 1H-1H NOESY 2D 1H-1H TOCSY 2D 1H-13C HSQC 2D 1H-15N HSQC 2D (HB)CB(CGCD)HD 3D 1H-1H-15N NOESY 3D 13C-1H-1H NOESY 3D 1H-1H-15N TOCSY 3D 1H-13C-1H HCCH-TOCSY 3D CBCA(CO)NH 3D HNCACB 3D HNCA 3D HNCO 3D HN(CO)CA 3D HCC(CO)NH 3D CC(CO)NH ; save_ ####################### # Sample conditions # ####################### save_Ex-cond _Saveframe_category sample_conditions _Details ; DTT (5 mM) was present in the samples. Samples in D2O: The pH of buffers in H2O was adjusted; buffers were lyophilized, and then dissolved in D2O. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.2 n/a temperature 298 1 K ionic_strength 0.4 0.04 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "XRCC1 NTD" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 PRO C C 172.05 0.12 1 2 3 GLU N N 122.87 0.15 1 3 3 GLU H H 9.06 0.03 1 4 3 GLU CA C 57.33 0.12 1 5 3 GLU HA H 4.44 0.03 1 6 3 GLU CB C 30.43 0.12 1 7 3 GLU HB2 H 1.99 0.03 1 8 3 GLU HB3 H 1.99 0.03 1 9 3 GLU CG C 36.73 0.12 1 10 3 GLU HG2 H 2.12 0.03 2 11 3 GLU HG3 H 2.18 0.03 2 12 3 GLU C C 176.45 0.12 1 13 4 ILE N N 128.57 0.15 1 14 4 ILE H H 8.84 0.03 1 15 4 ILE CA C 61.73 0.12 1 16 4 ILE HA H 4.02 0.03 1 17 4 ILE CB C 38.83 0.12 1 18 4 ILE HB H 1.66 0.03 1 19 4 ILE HG2 H 0.96 0.03 1 20 4 ILE CG2 C 18.03 0.12 1 21 4 ILE CG1 C 29.43 0.12 1 22 4 ILE HG12 H 0.99 0.03 2 23 4 ILE HG13 H 1.79 0.03 2 24 4 ILE HD1 H 0.80 0.03 1 25 4 ILE CD1 C 15.33 0.12 1 26 4 ILE C C 175.25 0.12 1 27 5 ARG N N 127.47 0.15 1 28 5 ARG H H 8.90 0.03 1 29 5 ARG CA C 55.83 0.12 1 30 5 ARG HA H 4.41 0.03 1 31 5 ARG CB C 30.23 0.12 1 32 5 ARG HB2 H 1.78 0.03 1 33 5 ARG HB3 H 1.78 0.03 1 34 5 ARG CG C 27.43 0.12 1 35 5 ARG HG2 H 1.63 0.03 2 36 5 ARG HG3 H 1.72 0.03 2 37 5 ARG CD C 43.03 0.12 1 38 5 ARG HD2 H 3.25 0.03 2 39 5 ARG HD3 H 3.29 0.03 2 40 5 ARG C C 175.35 0.12 1 41 6 LEU N N 124.37 0.15 1 42 6 LEU H H 8.89 0.03 1 43 6 LEU CA C 53.83 0.12 1 44 6 LEU HA H 4.47 0.03 1 45 6 LEU CB C 43.43 0.12 1 46 6 LEU HB2 H 1.08 0.03 2 47 6 LEU HB3 H 2.00 0.03 2 48 6 LEU CG C 26.53 0.12 1 49 6 LEU HG H 1.98 0.03 1 50 6 LEU HD1 H 0.73 0.03 2 51 6 LEU HD2 H 1.03 0.03 2 52 6 LEU CD1 C 23.73 0.12 1 53 6 LEU CD2 C 26.33 0.12 1 54 6 LEU C C 175.45 0.12 1 55 7 ARG N N 122.17 0.15 1 56 7 ARG H H 9.19 0.03 1 57 7 ARG CA C 57.73 0.12 1 58 7 ARG HA H 4.44 0.03 1 59 7 ARG CB C 33.13 0.12 1 60 7 ARG HB2 H 1.29 0.03 2 61 7 ARG HB3 H 1.41 0.03 2 62 7 ARG CG C 26.83 0.12 1 63 7 ARG HG2 H 1.61 0.03 2 64 7 ARG HG3 H 1.67 0.03 2 65 7 ARG CD C 43.63 0.12 1 66 7 ARG HD2 H 3.12 0.03 2 67 7 ARG HD3 H 3.22 0.03 2 68 7 ARG C C 175.35 0.12 1 69 8 HIS N N 108.87 0.15 1 70 8 HIS H H 7.26 0.03 1 71 8 HIS CA C 55.53 0.12 1 72 8 HIS HA H 4.84 0.03 1 73 8 HIS CB C 32.53 0.12 1 74 8 HIS HB2 H 3.12 0.03 2 75 8 HIS HB3 H 3.28 0.03 2 76 8 HIS CD2 C 119.63 0.12 1 77 8 HIS CE1 C 137.83 0.12 1 78 8 HIS HD2 H 6.54 0.03 1 79 8 HIS HE1 H 7.68 0.03 1 80 8 HIS C C 173.25 0.12 1 81 9 VAL N N 121.47 0.15 1 82 9 VAL H H 9.19 0.03 1 83 9 VAL CA C 62.83 0.12 1 84 9 VAL HA H 4.04 0.03 1 85 9 VAL CB C 32.23 0.12 1 86 9 VAL HB H 2.06 0.03 1 87 9 VAL HG1 H 0.61 0.03 2 88 9 VAL HG2 H 0.63 0.03 2 89 9 VAL CG1 C 20.83 0.12 1 90 9 VAL CG2 C 20.83 0.12 1 91 9 VAL C C 175.75 0.12 1 92 10 VAL N N 130.67 0.15 1 93 10 VAL H H 9.23 0.03 1 94 10 VAL CA C 64.53 0.12 1 95 10 VAL HA H 3.82 0.03 1 96 10 VAL CB C 32.53 0.12 1 97 10 VAL HB H 1.66 0.03 1 98 10 VAL HG1 H 0.88 0.03 2 99 10 VAL HG2 H 0.91 0.03 2 100 10 VAL CG1 C 20.23 0.12 1 101 10 VAL CG2 C 22.93 0.12 1 102 10 VAL C C 175.75 0.12 1 103 11 SER N N 110.07 0.15 1 104 11 SER H H 7.54 0.03 1 105 11 SER CA C 56.73 0.12 1 106 11 SER HA H 4.52 0.03 1 107 11 SER CB C 64.83 0.12 1 108 11 SER HB2 H 3.71 0.03 1 109 11 SER HB3 H 3.71 0.03 1 110 11 SER C C 171.55 0.12 1 111 12 CYS N N 119.97 0.15 1 112 12 CYS H H 8.53 0.03 1 113 12 CYS CA C 58.23 0.12 1 114 12 CYS HA H 4.99 0.03 1 115 12 CYS CB C 28.53 0.12 1 116 12 CYS HB2 H 2.35 0.03 2 117 12 CYS HB3 H 2.67 0.03 2 118 12 CYS C C 174.65 0.12 1 119 13 SER N N 126.47 0.15 1 120 13 SER H H 9.48 0.03 1 121 13 SER CA C 61.23 0.12 1 122 13 SER HA H 4.37 0.03 1 123 13 SER CB C 63.13 0.12 1 124 13 SER HB2 H 3.93 0.03 2 125 13 SER HB3 H 4.30 0.03 2 126 13 SER C C 174.65 0.12 1 127 14 SER N N 117.47 0.15 1 128 14 SER H H 7.58 0.03 1 129 14 SER CA C 58.33 0.12 1 130 14 SER HA H 4.65 0.03 1 131 14 SER CB C 64.03 0.12 1 132 14 SER HB2 H 3.56 0.03 2 133 14 SER HB3 H 4.22 0.03 2 134 14 SER C C 173.05 0.12 1 135 15 GLN N N 121.67 0.15 1 136 15 GLN H H 8.91 0.03 1 137 15 GLN CA C 53.43 0.12 1 138 15 GLN HA H 5.59 0.03 1 139 15 GLN CB C 30.23 0.12 1 140 15 GLN HB2 H 2.42 0.03 2 141 15 GLN HB3 H 2.79 0.03 2 142 15 GLN CG C 30.93 0.12 1 143 15 GLN HG2 H 2.50 0.03 1 144 15 GLN HG3 H 2.50 0.03 1 145 15 GLN CD C 180.33 0.12 1 146 15 GLN NE2 N 112.20 0.15 1 147 15 GLN HE21 H 7.05 0.03 2 148 15 GLN HE22 H 7.74 0.03 2 149 15 GLN C C 172.95 0.12 1 150 16 ASP N N 123.47 0.15 1 151 16 ASP H H 8.00 0.03 1 152 16 ASP CA C 53.63 0.12 1 153 16 ASP HA H 4.52 0.03 1 154 16 ASP CB C 44.53 0.12 1 155 16 ASP HB2 H 2.48 0.03 2 156 16 ASP HB3 H 2.65 0.03 2 157 16 ASP C C 174.75 0.12 1 158 17 SER N N 115.27 0.15 1 159 17 SER H H 8.04 0.03 1 160 17 SER CA C 61.23 0.12 1 161 17 SER HA H 4.17 0.03 1 162 17 SER CB C 62.83 0.12 1 163 17 SER HB2 H 3.93 0.03 1 164 17 SER HB3 H 3.93 0.03 1 165 17 SER C C 176.05 0.12 1 166 18 THR N N 118.27 0.15 1 167 18 THR H H 7.98 0.03 1 168 18 THR CA C 65.23 0.12 1 169 18 THR HA H 4.15 0.03 1 170 18 THR CB C 68.53 0.12 1 171 18 THR HB H 3.84 0.03 1 172 18 THR HG2 H 0.72 0.03 1 173 18 THR CG2 C 20.43 0.12 1 174 18 THR C C 175.55 0.12 1 175 19 HIS N N 126.57 0.15 1 176 19 HIS H H 9.29 0.03 1 177 19 HIS CA C 54.93 0.12 1 178 19 HIS HA H 4.94 0.03 1 179 19 HIS CB C 29.63 0.12 1 180 19 HIS HB2 H 2.75 0.03 2 181 19 HIS HB3 H 2.79 0.03 2 182 19 HIS CD2 C 118.53 0.12 1 183 19 HIS HD2 H 7.13 0.03 1 184 19 HIS C C 174.85 0.12 1 185 20 CYS N N 116.67 0.15 1 186 20 CYS H H 7.27 0.03 1 187 20 CYS CA C 55.43 0.12 1 188 20 CYS HA H 5.31 0.03 1 189 20 CYS CB C 29.43 0.12 1 190 20 CYS HB2 H 3.31 0.03 2 191 20 CYS HB3 H 3.44 0.03 2 192 20 CYS C C 175.35 0.12 1 193 21 ALA N N 122.47 0.15 1 194 21 ALA H H 8.85 0.03 1 195 21 ALA CA C 55.23 0.12 1 196 21 ALA HA H 3.60 0.03 1 197 21 ALA HB H 0.99 0.03 1 198 21 ALA CB C 18.43 0.12 1 199 21 ALA C C 179.15 0.12 1 200 22 GLU N N 114.47 0.15 1 201 22 GLU H H 8.62 0.03 1 202 22 GLU CA C 58.53 0.12 1 203 22 GLU HA H 3.73 0.03 1 204 22 GLU CB C 28.83 0.12 1 205 22 GLU HB2 H 2.03 0.03 2 206 22 GLU HB3 H 2.15 0.03 2 207 22 GLU CG C 37.13 0.12 1 208 22 GLU HG2 H 2.37 0.03 2 209 22 GLU HG3 H 2.44 0.03 2 210 22 GLU C C 178.35 0.12 1 211 23 ASN N N 118.47 0.15 1 212 23 ASN H H 7.90 0.03 1 213 23 ASN CA C 55.23 0.12 1 214 23 ASN HA H 4.47 0.03 1 215 23 ASN CB C 37.23 0.12 1 216 23 ASN HB2 H 2.66 0.03 2 217 23 ASN HB3 H 3.02 0.03 2 218 23 ASN CG C 175.63 0.12 1 219 23 ASN ND2 N 116.70 0.15 1 220 23 ASN HD21 H 7.08 0.03 2 221 23 ASN HD22 H 9.01 0.03 2 222 23 ASN C C 177.65 0.12 1 223 24 LEU N N 116.37 0.15 1 224 24 LEU H H 8.18 0.03 1 225 24 LEU CA C 55.53 0.12 1 226 24 LEU HA H 4.45 0.03 1 227 24 LEU CB C 41.73 0.12 1 228 24 LEU HB2 H 1.41 0.03 2 229 24 LEU HB3 H 1.74 0.03 2 230 24 LEU CG C 27.13 0.12 1 231 24 LEU HG H 1.87 0.03 1 232 24 LEU HD1 H 0.76 0.03 2 233 24 LEU HD2 H 0.95 0.03 2 234 24 LEU CD1 C 26.33 0.12 1 235 24 LEU CD2 C 21.53 0.12 1 236 24 LEU C C 173.25 0.12 1 237 25 LEU N N 113.87 0.15 1 238 25 LEU H H 7.52 0.03 1 239 25 LEU CA C 56.13 0.12 1 240 25 LEU HA H 4.11 0.03 1 241 25 LEU CB C 41.23 0.12 1 242 25 LEU HB2 H 1.70 0.03 2 243 25 LEU HB3 H 1.94 0.03 2 244 25 LEU CG C 27.13 0.12 1 245 25 LEU HG H 1.60 0.03 1 246 25 LEU HD1 H 0.56 0.03 2 247 25 LEU HD2 H 0.97 0.03 2 248 25 LEU CD1 C 23.43 0.12 1 249 25 LEU CD2 C 26.33 0.12 1 250 25 LEU C C 176.35 0.12 1 251 26 LYS N N 117.37 0.15 1 252 26 LYS H H 7.29 0.03 1 253 26 LYS CA C 54.63 0.12 1 254 26 LYS HA H 4.61 0.03 1 255 26 LYS CB C 34.33 0.12 1 256 26 LYS HB2 H 1.86 0.03 2 257 26 LYS HB3 H 1.95 0.03 2 258 26 LYS CG C 24.93 0.12 1 259 26 LYS HG2 H 1.47 0.03 2 260 26 LYS HG3 H 1.51 0.03 2 261 26 LYS CD C 29.13 0.12 1 262 26 LYS HD2 H 1.74 0.03 1 263 26 LYS HD3 H 1.74 0.03 1 264 26 LYS CE C 42.03 0.12 1 265 26 LYS HE2 H 3.01 0.03 1 266 26 LYS HE3 H 3.01 0.03 1 267 26 LYS C C 175.45 0.12 1 268 27 ALA N N 124.77 0.15 1 269 27 ALA H H 8.55 0.03 1 270 27 ALA CA C 52.93 0.12 1 271 27 ALA HA H 4.47 0.03 1 272 27 ALA HB H 1.38 0.03 1 273 27 ALA CB C 18.43 0.12 1 274 27 ALA C C 177.25 0.12 1 275 28 ASP N N 117.77 0.15 1 276 28 ASP H H 8.11 0.03 1 277 28 ASP CA C 53.43 0.12 1 278 28 ASP HA H 4.55 0.03 1 279 28 ASP CB C 41.53 0.12 1 280 28 ASP HB2 H 2.70 0.03 1 281 28 ASP HB3 H 2.70 0.03 1 282 28 ASP C C 176.35 0.12 1 283 29 THR N N 112.57 0.15 1 284 29 THR H H 8.16 0.03 1 285 29 THR CA C 62.63 0.12 1 286 29 THR HA H 4.34 0.03 1 287 29 THR CB C 69.33 0.12 1 288 29 THR HB H 4.20 0.03 1 289 29 THR HG2 H 1.11 0.03 1 290 29 THR CG2 C 21.23 0.12 1 291 29 THR C C 174.25 0.12 1 292 30 TYR N N 119.77 0.15 1 293 30 TYR H H 8.18 0.03 1 294 30 TYR CA C 58.43 0.12 1 295 30 TYR HA H 4.58 0.03 1 297 30 TYR HB2 H 3.09 0.03 2 298 30 TYR HB3 H 3.18 0.03 2 299 30 TYR HD1 H 7.15 0.03 1 300 30 TYR HD2 H 7.15 0.03 1 301 30 TYR HE1 H 6.80 0.03 1 302 30 TYR HE2 H 6.80 0.03 1 303 30 TYR CD1 C 132.83 0.12 1 304 30 TYR CE1 C 117.83 0.12 1 305 30 TYR CE2 C 117.83 0.12 1 306 30 TYR CD2 C 132.83 0.12 1 307 30 TYR C C 172.75 0.12 1 308 31 ARG N N 120.87 0.15 1 309 31 ARG H H 8.12 0.03 1 310 31 ARG CA C 55.83 0.12 1 311 31 ARG HA H 4.60 0.03 1 312 31 ARG HB2 H 1.88 0.03 1 313 31 ARG HB3 H 1.88 0.03 1 314 31 ARG HG2 H 1.62 0.03 1 315 31 ARG HG3 H 1.62 0.03 1 316 31 ARG CD C 43.23 0.12 1 317 31 ARG HD2 H 3.11 0.03 1 318 31 ARG HD3 H 3.11 0.03 1 319 31 ARG C C 175.55 0.12 1 320 32 LYS N N 120.87 0.15 1 321 32 LYS H H 8.07 0.03 1 322 32 LYS CA C 55.33 0.12 1 323 32 LYS HA H 4.59 0.03 1 324 32 LYS CB C 34.43 0.12 1 325 32 LYS HB2 H 1.51 0.03 2 326 32 LYS HB3 H 1.91 0.03 2 327 32 LYS CG C 24.93 0.12 1 328 32 LYS HG2 H 1.22 0.03 2 329 32 LYS HG3 H 1.29 0.03 2 330 32 LYS CD C 28.93 0.12 1 331 32 LYS HD2 H 1.27 0.03 2 332 32 LYS HD3 H 1.49 0.03 2 333 32 LYS CE C 41.73 0.12 1 334 32 LYS HE2 H 2.58 0.03 2 335 32 LYS HE3 H 2.68 0.03 2 336 32 LYS C C 175.05 0.12 1 337 33 TRP N N 119.57 0.15 1 338 33 TRP H H 8.43 0.03 1 339 33 TRP CA C 54.33 0.12 1 340 33 TRP HA H 5.12 0.03 1 341 33 TRP CB C 29.93 0.12 1 342 33 TRP HB2 H 2.83 0.03 2 343 33 TRP HB3 H 3.10 0.03 2 344 33 TRP CD1 C 124.93 0.12 1 345 33 TRP CE3 C 118.83 0.12 1 346 33 TRP NE1 N 128.30 0.15 1 347 33 TRP HD1 H 7.21 0.03 1 348 33 TRP HE3 H 7.20 0.03 1 349 33 TRP CZ3 C 121.23 0.12 1 350 33 TRP CZ2 C 113.83 0.12 1 351 33 TRP HE1 H 10.07 0.03 1 352 33 TRP HZ3 H 6.77 0.03 1 353 33 TRP CH2 C 123.33 0.12 1 354 33 TRP HZ2 H 7.09 0.03 1 355 33 TRP HH2 H 6.68 0.03 1 356 33 TRP C C 173.75 0.12 1 357 34 ARG N N 122.77 0.15 1 358 34 ARG H H 8.64 0.03 1 359 34 ARG CA C 52.93 0.12 1 360 34 ARG HA H 4.04 0.03 1 361 34 ARG CB C 36.33 0.12 1 362 34 ARG HB2 H 1.22 0.03 2 363 34 ARG HB3 H 1.43 0.03 2 364 34 ARG CG C 27.43 0.12 1 365 34 ARG HG2 H 1.14 0.03 1 366 34 ARG HG3 H 1.14 0.03 1 367 34 ARG CD C 43.83 0.12 1 368 34 ARG HD2 H 2.43 0.03 2 369 34 ARG HD3 H 2.65 0.03 2 370 34 ARG NE N 84.90 0.15 1 371 34 ARG HE H 8.11 0.03 1 372 34 ARG C C 173.85 0.12 1 373 35 ALA N N 117.47 0.15 1 374 35 ALA H H 7.24 0.03 1 375 35 ALA CA C 50.93 0.12 1 376 35 ALA HA H 3.58 0.03 1 377 35 ALA HB H 0.96 0.03 1 378 35 ALA CB C 20.13 0.12 1 379 35 ALA C C 175.75 0.12 1 380 36 ALA N N 119.47 0.15 1 381 36 ALA H H 8.38 0.03 1 382 36 ALA CA C 54.43 0.12 1 383 36 ALA HA H 3.66 0.03 1 384 36 ALA HB H 1.43 0.03 1 385 36 ALA CB C 19.43 0.12 1 386 36 ALA C C 177.25 0.12 1 387 37 LYS N N 109.67 0.15 1 388 37 LYS H H 7.21 0.03 1 389 37 LYS CA C 53.93 0.12 1 390 37 LYS HA H 4.55 0.03 1 391 37 LYS CB C 35.13 0.12 1 392 37 LYS HB2 H 1.76 0.03 2 393 37 LYS HB3 H 1.91 0.03 2 394 37 LYS CG C 23.33 0.12 1 395 37 LYS HG2 H 1.26 0.03 2 396 37 LYS HG3 H 1.36 0.03 2 397 37 LYS CD C 29.13 0.12 1 398 37 LYS HD2 H 1.67 0.03 1 399 37 LYS HD3 H 1.67 0.03 1 400 37 LYS CE C 43.43 0.12 1 401 37 LYS HE2 H 2.97 0.03 1 402 37 LYS HE3 H 2.97 0.03 1 403 37 LYS C C 174.85 0.12 1 404 38 ALA N N 122.07 0.15 1 405 38 ALA H H 8.57 0.03 1 406 38 ALA CA C 52.33 0.12 1 407 38 ALA HA H 3.86 0.03 1 408 38 ALA HB H 1.23 0.03 1 410 38 ALA C C 177.75 0.12 1 411 39 GLY N N 108.07 0.15 1 412 39 GLY H H 8.82 0.03 1 413 39 GLY CA C 45.83 0.12 1 414 39 GLY HA2 H 3.71 0.03 2 415 39 GLY HA3 H 4.21 0.03 2 416 39 GLY C C 175.15 0.12 1 417 40 GLU N N 119.47 0.15 1 418 40 GLU H H 7.93 0.03 1 419 40 GLU CA C 56.53 0.12 1 420 40 GLU HA H 4.38 0.03 1 421 40 GLU CB C 30.23 0.12 1 422 40 GLU HB2 H 1.91 0.03 2 423 40 GLU HB3 H 1.98 0.03 2 424 40 GLU CG C 36.33 0.12 1 425 40 GLU HG2 H 2.16 0.03 2 426 40 GLU HG3 H 2.24 0.03 2 427 40 GLU C C 176.65 0.12 1 428 41 LYS N N 119.47 0.15 1 429 41 LYS H H 8.69 0.03 1 430 41 LYS CA C 59.73 0.12 1 431 41 LYS HA H 3.96 0.03 1 432 41 LYS CB C 32.73 0.12 1 433 41 LYS HB2 H 1.86 0.03 2 434 41 LYS HB3 H 1.96 0.03 2 435 41 LYS CG C 25.33 0.12 1 436 41 LYS HG2 H 1.42 0.03 1 437 41 LYS HG3 H 1.42 0.03 1 438 41 LYS CD C 29.23 0.12 1 439 41 LYS HD2 H 1.69 0.03 1 440 41 LYS HD3 H 1.69 0.03 1 441 41 LYS CE C 42.03 0.12 1 442 41 LYS HE2 H 3.00 0.03 1 443 41 LYS HE3 H 3.00 0.03 1 444 41 LYS C C 176.85 0.12 1 445 42 THR N N 112.77 0.15 1 446 42 THR H H 8.06 0.03 1 447 42 THR CA C 60.73 0.12 1 448 42 THR HA H 5.40 0.03 1 449 42 THR CB C 71.83 0.12 1 450 42 THR HB H 3.89 0.03 1 451 42 THR HG2 H 1.13 0.03 1 452 42 THR CG2 C 21.73 0.12 1 453 42 THR C C 173.15 0.12 1 454 43 ILE N N 118.37 0.15 1 455 43 ILE H H 9.25 0.03 1 456 43 ILE CA C 60.03 0.12 1 457 43 ILE HA H 4.67 0.03 1 458 43 ILE CB C 42.33 0.12 1 459 43 ILE HB H 1.95 0.03 1 460 43 ILE HG2 H 0.66 0.03 1 461 43 ILE CG2 C 18.03 0.12 1 462 43 ILE CG1 C 25.13 0.12 1 463 43 ILE HG12 H 0.82 0.03 2 464 43 ILE HG13 H 1.24 0.03 2 465 43 ILE HD1 H -0.60 0.03 1 466 43 ILE CD1 C 12.53 0.12 1 467 43 ILE C C 173.25 0.12 1 468 44 SER N N 113.27 0.15 1 469 44 SER H H 9.04 0.03 1 470 44 SER CA C 56.73 0.12 1 471 44 SER HA H 6.20 0.03 1 472 44 SER CB C 67.83 0.12 1 473 44 SER HB2 H 3.66 0.03 2 474 44 SER HB3 H 3.82 0.03 2 475 44 SER C C 172.35 0.12 1 476 45 VAL N N 119.07 0.15 1 477 45 VAL H H 8.61 0.03 1 478 45 VAL CA C 59.13 0.12 1 479 45 VAL HA H 4.73 0.03 1 480 45 VAL CB C 34.73 0.12 1 481 45 VAL HB H 1.10 0.03 1 482 45 VAL HG1 H 0.30 0.03 2 483 45 VAL HG2 H 0.54 0.03 2 484 45 VAL CG1 C 20.33 0.12 1 485 45 VAL CG2 C 22.53 0.12 1 486 45 VAL C C 171.05 0.12 1 487 46 VAL N N 125.27 0.15 1 488 46 VAL H H 8.46 0.03 1 489 46 VAL CA C 60.73 0.12 1 490 46 VAL HA H 5.06 0.03 1 491 46 VAL CB C 33.33 0.12 1 492 46 VAL HB H 1.89 0.03 1 493 46 VAL HG1 H 0.64 0.03 2 494 46 VAL HG2 H 0.82 0.03 2 495 46 VAL CG1 C 20.93 0.12 1 496 46 VAL CG2 C 21.23 0.12 1 497 46 VAL C C 175.45 0.12 1 498 47 LEU N N 126.57 0.15 1 499 47 LEU H H 9.53 0.03 1 500 47 LEU CA C 52.93 0.12 1 501 47 LEU HA H 4.93 0.03 1 502 47 LEU CB C 44.73 0.12 1 503 47 LEU HB2 H 1.17 0.03 2 504 47 LEU HB3 H 1.64 0.03 2 505 47 LEU CG C 26.53 0.12 1 506 47 LEU HG H 1.49 0.03 1 507 47 LEU HD1 H 0.70 0.03 2 508 47 LEU HD2 H 0.75 0.03 2 509 47 LEU CD1 C 25.23 0.12 1 510 47 LEU CD2 C 26.03 0.12 1 511 47 LEU C C 174.05 0.12 1 512 48 GLN N N 121.27 0.15 1 513 48 GLN H H 8.61 0.03 1 514 48 GLN CA C 53.63 0.12 1 515 48 GLN HA H 4.78 0.03 1 516 48 GLN CB C 29.93 0.12 1 517 48 GLN HB2 H 1.13 0.03 2 518 48 GLN HB3 H 1.73 0.03 2 519 48 GLN CG C 32.73 0.12 1 520 48 GLN HG2 H 2.29 0.03 2 521 48 GLN HG3 H 2.40 0.03 2 522 48 GLN CD C 178.63 0.12 1 523 48 GLN NE2 N 115.60 0.15 1 524 48 GLN HE21 H 6.95 0.03 2 525 48 GLN HE22 H 7.97 0.03 2 526 48 GLN C C 175.35 0.12 1 527 49 LEU N N 128.47 0.15 1 528 49 LEU H H 8.95 0.03 1 529 49 LEU CA C 55.13 0.12 1 530 49 LEU HA H 4.48 0.03 1 531 49 LEU CB C 41.53 0.12 1 532 49 LEU HB2 H 1.73 0.03 2 533 49 LEU HB3 H 2.13 0.03 2 534 49 LEU CG C 28.53 0.12 1 535 49 LEU HG H 1.41 0.03 1 536 49 LEU HD1 H 0.63 0.03 2 537 49 LEU HD2 H 0.66 0.03 2 538 49 LEU CD1 C 24.13 0.12 1 539 49 LEU CD2 C 24.23 0.12 1 540 49 LEU C C 176.95 0.12 1 541 50 GLU N N 118.97 0.15 1 542 50 GLU H H 8.37 0.03 1 543 50 GLU CA C 59.63 0.12 1 544 50 GLU HA H 3.87 0.03 1 545 50 GLU CB C 29.93 0.12 1 546 50 GLU HB2 H 2.06 0.03 1 547 50 GLU HB3 H 2.06 0.03 1 548 50 GLU CG C 36.13 0.12 1 549 50 GLU HG2 H 2.20 0.03 1 550 50 GLU HG3 H 2.20 0.03 1 551 50 GLU C C 175.15 0.12 1 552 51 LYS N N 113.17 0.15 1 553 51 LYS H H 8.10 0.03 1 554 51 LYS CA C 53.53 0.12 1 555 51 LYS HA H 4.56 0.03 1 556 51 LYS CB C 34.63 0.12 1 557 51 LYS HB2 H 1.83 0.03 2 558 51 LYS HB3 H 1.91 0.03 2 559 51 LYS CG C 22.83 0.12 1 560 51 LYS HG2 H 1.14 0.03 2 561 51 LYS HG3 H 1.34 0.03 2 562 51 LYS CD C 29.33 0.12 1 563 51 LYS HD2 H 1.66 0.03 1 564 51 LYS HD3 H 1.66 0.03 1 565 51 LYS CE C 42.03 0.12 1 566 51 LYS HE2 H 3.00 0.03 1 567 51 LYS HE3 H 3.00 0.03 1 568 51 LYS C C 173.05 0.12 1 569 52 GLU N N 115.27 0.15 1 570 52 GLU H H 8.10 0.03 1 571 52 GLU CA C 56.43 0.12 1 572 52 GLU HA H 4.20 0.03 1 573 52 GLU CB C 29.63 0.12 1 574 52 GLU HB2 H 1.69 0.03 2 575 52 GLU HB3 H 1.84 0.03 2 576 52 GLU CG C 37.13 0.12 1 577 52 GLU HG2 H 1.97 0.03 2 578 52 GLU HG3 H 2.13 0.03 2 579 52 GLU C C 176.25 0.12 1 580 53 GLU N N 124.07 0.15 1 581 53 GLU H H 8.65 0.03 1 582 53 GLU CA C 54.63 0.12 1 583 53 GLU HA H 4.84 0.03 1 584 53 GLU CB C 34.13 0.12 1 585 53 GLU HB2 H 1.52 0.03 2 586 53 GLU HB3 H 2.05 0.03 2 587 53 GLU CG C 35.33 0.12 1 588 53 GLU HG2 H 2.42 0.03 2 589 53 GLU HG3 H 2.50 0.03 2 590 53 GLU C C 175.05 0.12 1 591 54 GLN N N 121.17 0.15 1 592 54 GLN H H 8.89 0.03 1 593 54 GLN CA C 54.73 0.12 1 594 54 GLN HA H 4.85 0.03 1 595 54 GLN CB C 29.93 0.12 1 596 54 GLN HB2 H 1.76 0.03 2 597 54 GLN HB3 H 1.96 0.03 2 598 54 GLN CG C 34.13 0.12 1 599 54 GLN HG2 H 2.21 0.03 2 600 54 GLN HG3 H 2.58 0.03 2 601 54 GLN CD C 180.23 0.12 1 602 54 GLN NE2 N 111.30 0.15 1 603 54 GLN HE21 H 6.90 0.03 2 604 54 GLN HE22 H 7.54 0.03 2 605 54 GLN C C 174.35 0.12 1 606 55 ILE N N 126.87 0.15 1 607 55 ILE H H 10.00 0.03 1 608 55 ILE CA C 61.73 0.12 1 609 55 ILE HA H 4.14 0.03 1 610 55 ILE CB C 38.13 0.12 1 611 55 ILE HB H 1.93 0.03 1 612 55 ILE HG2 H 1.02 0.03 1 613 55 ILE CG2 C 19.83 0.12 1 614 55 ILE CG1 C 28.43 0.12 1 615 55 ILE HG12 H 0.90 0.03 2 616 55 ILE HG13 H 1.64 0.03 2 617 55 ILE HD1 H 0.64 0.03 1 618 55 ILE CD1 C 13.73 0.12 1 619 55 ILE C C 174.35 0.12 1 620 56 HIS N N 127.77 0.15 1 621 56 HIS H H 9.78 0.03 1 622 56 HIS CA C 57.53 0.12 1 623 56 HIS HA H 4.60 0.03 1 624 56 HIS CB C 34.63 0.12 1 625 56 HIS HB2 H 2.65 0.03 2 626 56 HIS HB3 H 2.86 0.03 2 627 56 HIS CD2 C 118.53 0.12 1 628 56 HIS HD2 H 6.95 0.03 1 629 56 HIS C C 173.45 0.12 1 630 57 SER N N 105.37 0.15 1 631 57 SER H H 7.84 0.03 1 632 57 SER CA C 57.23 0.12 1 633 57 SER HA H 5.17 0.03 1 634 57 SER CB C 66.43 0.12 1 635 57 SER HB2 H 3.83 0.03 2 636 57 SER HB3 H 4.00 0.03 2 637 57 SER C C 172.55 0.12 1 638 58 VAL N N 118.77 0.15 1 639 58 VAL H H 8.79 0.03 1 640 58 VAL CA C 60.53 0.12 1 641 58 VAL HA H 4.97 0.03 1 642 58 VAL CB C 36.43 0.12 1 643 58 VAL HB H 2.01 0.03 1 644 58 VAL HG1 H 0.80 0.03 2 645 58 VAL HG2 H 0.81 0.03 2 646 58 VAL CG1 C 20.73 0.12 1 647 58 VAL CG2 C 22.03 0.12 1 648 58 VAL C C 172.65 0.12 1 649 59 ASP N N 126.67 0.15 1 650 59 ASP H H 9.43 0.03 1 651 59 ASP CA C 52.43 0.12 1 652 59 ASP HA H 5.62 0.03 1 653 59 ASP CB C 43.33 0.12 1 654 59 ASP HB2 H 2.69 0.03 2 655 59 ASP HB3 H 2.83 0.03 2 656 59 ASP C C 174.95 0.12 1 657 60 ILE N N 120.27 0.15 1 658 60 ILE H H 9.10 0.03 1 659 60 ILE CA C 60.43 0.12 1 660 60 ILE HA H 4.30 0.03 1 662 60 ILE HB H 2.03 0.03 1 663 60 ILE HG2 H 0.51 0.03 1 664 60 ILE CG2 C 19.03 0.12 1 665 60 ILE CG1 C 27.93 0.12 1 666 60 ILE HG12 H 1.00 0.03 2 667 60 ILE HG13 H 1.66 0.03 2 668 60 ILE HD1 H 0.70 0.03 1 669 60 ILE CD1 C 13.03 0.12 1 670 60 ILE C C 173.15 0.12 1 671 61 GLY N N 113.97 0.15 1 672 61 GLY H H 7.98 0.03 1 673 61 GLY CA C 45.43 0.12 1 674 61 GLY HA2 H 2.41 0.03 2 675 61 GLY HA3 H 4.48 0.03 2 676 61 GLY C C 173.55 0.12 1 677 62 ASN N N 123.97 0.15 1 678 62 ASN H H 8.84 0.03 1 679 62 ASN CA C 52.43 0.12 1 680 62 ASN HA H 4.67 0.03 1 681 62 ASN CB C 40.33 0.12 1 682 62 ASN HB2 H 2.67 0.03 2 683 62 ASN HB3 H 3.12 0.03 2 684 62 ASN C C 175.85 0.12 1 685 63 ASP N N 126.37 0.15 1 686 63 ASP H H 8.19 0.03 1 687 63 ASP CA C 54.73 0.12 1 688 63 ASP HA H 4.60 0.03 1 690 63 ASP HB2 H 2.65 0.03 2 691 63 ASP HB3 H 2.76 0.03 2 692 63 ASP C C 175.45 0.12 1 693 64 GLY N N 107.47 0.15 1 694 64 GLY H H 9.18 0.03 1 695 64 GLY CA C 46.53 0.12 1 696 64 GLY HA2 H 3.82 0.03 2 697 64 GLY HA3 H 4.46 0.03 2 698 64 GLY C C 175.85 0.12 1 699 65 SER N N 118.27 0.15 1 700 65 SER H H 9.23 0.03 1 701 65 SER CA C 60.63 0.12 1 702 65 SER HA H 4.19 0.03 1 703 65 SER CB C 62.63 0.12 1 704 65 SER HB2 H 3.71 0.03 2 705 65 SER HB3 H 4.04 0.03 2 706 65 SER C C 173.45 0.12 1 707 66 ALA N N 124.37 0.15 1 708 66 ALA H H 8.53 0.03 1 709 66 ALA CA C 53.83 0.12 1 710 66 ALA HA H 4.46 0.03 1 711 66 ALA HB H 1.37 0.03 1 712 66 ALA CB C 20.23 0.12 1 713 66 ALA C C 177.85 0.12 1 714 67 PHE N N 114.07 0.15 1 715 67 PHE H H 8.14 0.03 1 716 67 PHE CA C 55.53 0.12 1 717 67 PHE HA H 5.94 0.03 1 718 67 PHE CB C 43.43 0.12 1 719 67 PHE HB2 H 2.81 0.03 2 720 67 PHE HB3 H 3.11 0.03 2 721 67 PHE HD1 H 6.95 0.03 1 722 67 PHE HD2 H 6.95 0.03 1 723 67 PHE HE1 H 7.24 0.03 1 724 67 PHE HE2 H 7.24 0.03 1 725 67 PHE CD1 C 132.03 0.12 1 726 67 PHE CE1 C 128.73 0.12 1 727 67 PHE CZ C 130.53 0.12 1 728 67 PHE HZ H 7.52 0.03 1 729 67 PHE CE2 C 128.73 0.12 1 730 67 PHE CD2 C 132.03 0.12 1 731 67 PHE C C 174.45 0.12 1 732 68 VAL N N 118.77 0.15 1 733 68 VAL H H 8.76 0.03 1 734 68 VAL CA C 61.63 0.12 1 735 68 VAL HA H 5.11 0.03 1 736 68 VAL CB C 36.33 0.12 1 737 68 VAL HB H 1.77 0.03 1 738 68 VAL HG1 H 0.46 0.03 2 739 68 VAL HG2 H 0.87 0.03 2 740 68 VAL CG1 C 21.93 0.12 1 741 68 VAL CG2 C 22.03 0.12 1 742 68 VAL C C 172.85 0.12 1 743 69 GLU N N 128.37 0.15 1 744 69 GLU H H 8.96 0.03 1 745 69 GLU CA C 54.43 0.12 1 746 69 GLU HA H 4.68 0.03 1 747 69 GLU CB C 35.03 0.12 1 748 69 GLU HB2 H 2.03 0.03 1 749 69 GLU HB3 H 2.03 0.03 1 750 69 GLU CG C 36.43 0.12 1 751 69 GLU HG2 H 2.00 0.03 2 752 69 GLU HG3 H 2.55 0.03 2 753 69 GLU C C 174.45 0.12 1 754 70 VAL N N 121.07 0.15 1 755 70 VAL H H 8.65 0.03 1 756 70 VAL CA C 61.33 0.12 1 757 70 VAL HA H 5.19 0.03 1 758 70 VAL CB C 34.13 0.12 1 759 70 VAL HB H 2.05 0.03 1 760 70 VAL HG1 H 0.92 0.03 2 761 70 VAL HG2 H 1.02 0.03 2 762 70 VAL CG1 C 21.23 0.12 1 763 70 VAL CG2 C 22.33 0.12 1 764 70 VAL C C 174.15 0.12 1 765 71 LEU N N 129.17 0.15 1 766 71 LEU H H 10.07 0.03 1 767 71 LEU CA C 54.53 0.12 1 768 71 LEU HA H 5.24 0.03 1 769 71 LEU CB C 45.43 0.12 1 770 71 LEU HB2 H 1.31 0.03 2 771 71 LEU HB3 H 1.71 0.03 2 772 71 LEU CG C 29.13 0.12 1 773 71 LEU HG H 1.43 0.03 1 774 71 LEU HD1 H 0.69 0.03 2 775 71 LEU HD2 H 0.68 0.03 2 776 71 LEU CD1 C 26.33 0.12 1 777 71 LEU CD2 C 27.33 0.12 1 778 71 LEU C C 174.45 0.12 1 779 72 VAL N N 112.27 0.15 1 780 72 VAL H H 9.15 0.03 1 781 72 VAL CA C 58.23 0.12 1 782 72 VAL HA H 4.98 0.03 1 784 72 VAL HB H 1.01 0.03 1 785 72 VAL HG1 H -0.66 0.03 2 786 72 VAL HG2 H 0.52 0.03 2 787 72 VAL CG1 C 16.83 0.12 1 788 72 VAL CG2 C 24.63 0.12 1 789 72 VAL C C 173.75 0.12 1 790 73 GLY N N 106.07 0.15 1 791 73 GLY H H 8.28 0.03 1 792 73 GLY CA C 44.53 0.12 1 793 73 GLY HA2 H 2.79 0.03 2 794 73 GLY HA3 H 4.34 0.03 2 795 73 GLY C C 171.95 0.12 1 796 74 SER N N 112.87 0.15 1 797 74 SER H H 8.62 0.03 1 798 74 SER CA C 55.03 0.12 1 799 74 SER HA H 5.64 0.03 1 800 74 SER CB C 65.03 0.12 1 801 74 SER HB2 H 3.80 0.03 2 802 74 SER HB3 H 3.97 0.03 2 803 74 SER C C 176.35 0.12 1 804 75 SER N N 126.37 0.15 1 805 75 SER H H 11.03 0.03 1 806 75 SER CA C 60.43 0.12 1 807 75 SER HA H 3.97 0.03 1 808 75 SER CB C 62.03 0.12 1 809 75 SER HB2 H 3.98 0.03 1 810 75 SER HB3 H 3.98 0.03 1 811 75 SER C C 175.25 0.12 1 812 76 ALA N N 125.07 0.15 1 813 76 ALA H H 8.18 0.03 1 814 76 ALA CA C 52.73 0.12 1 815 76 ALA HA H 4.38 0.03 1 816 76 ALA HB H 1.34 0.03 1 818 76 ALA C C 178.15 0.12 1 819 77 GLY N N 106.57 0.15 1 820 77 GLY H H 8.02 0.03 1 821 77 GLY CA C 45.23 0.12 1 822 77 GLY HA2 H 3.94 0.03 2 823 77 GLY HA3 H 4.07 0.03 2 824 77 GLY C C 174.65 0.12 1 825 78 GLY N N 108.17 0.15 1 826 78 GLY H H 8.22 0.03 1 827 78 GLY CA C 45.13 0.12 1 828 78 GLY HA2 H 3.98 0.03 1 829 78 GLY HA3 H 3.98 0.03 1 830 78 GLY C C 173.95 0.12 1 831 79 ALA N N 123.17 0.15 1 832 79 ALA H H 8.39 0.03 1 833 79 ALA CA C 52.13 0.12 1 834 79 ALA HA H 4.35 0.03 1 835 79 ALA HB H 1.40 0.03 1 837 79 ALA C C 178.25 0.12 1 838 80 GLY N N 108.67 0.15 1 839 80 GLY H H 8.65 0.03 1 840 80 GLY CA C 45.03 0.12 1 841 80 GLY HA2 H 3.95 0.03 2 842 80 GLY HA3 H 4.05 0.03 2 843 80 GLY C C 174.55 0.12 1 844 81 GLU N N 119.47 0.15 1 845 81 GLU H H 8.37 0.03 1 846 81 GLU CA C 57.33 0.12 1 847 81 GLU HA H 4.05 0.03 1 848 81 GLU CB C 29.33 0.12 1 849 81 GLU HB2 H 1.84 0.03 2 850 81 GLU HB3 H 1.86 0.03 2 851 81 GLU CG C 36.23 0.12 1 852 81 GLU HG2 H 2.07 0.03 2 853 81 GLU HG3 H 2.14 0.03 2 854 81 GLU C C 177.15 0.12 1 855 82 GLN N N 118.07 0.15 1 856 82 GLN H H 8.41 0.03 1 857 82 GLN CA C 55.83 0.12 1 858 82 GLN HA H 4.31 0.03 1 859 82 GLN CB C 28.43 0.12 1 860 82 GLN HB2 H 1.99 0.03 2 861 82 GLN HB3 H 2.16 0.03 2 862 82 GLN CG C 33.63 0.12 1 863 82 GLN HG2 H 2.32 0.03 1 864 82 GLN HG3 H 2.32 0.03 1 865 82 GLN CD C 180.63 0.12 1 866 82 GLN NE2 N 112.90 0.15 1 867 82 GLN HE21 H 6.83 0.03 2 868 82 GLN HE22 H 7.53 0.03 2 869 82 GLN C C 175.45 0.12 1 870 83 ASP N N 119.87 0.15 1 871 83 ASP H H 8.07 0.03 1 872 83 ASP CA C 54.13 0.12 1 873 83 ASP HA H 4.74 0.03 1 874 83 ASP CB C 41.23 0.12 1 875 83 ASP HB2 H 2.56 0.03 2 876 83 ASP HB3 H 2.72 0.03 2 877 83 ASP C C 175.45 0.12 1 878 84 TYR N N 119.87 0.15 1 879 84 TYR H H 7.77 0.03 1 880 84 TYR CA C 57.43 0.12 1 881 84 TYR HA H 4.80 0.03 1 882 84 TYR CB C 40.93 0.12 1 883 84 TYR HB2 H 2.60 0.03 2 884 84 TYR HB3 H 2.68 0.03 2 885 84 TYR HD1 H 6.70 0.03 1 886 84 TYR HD2 H 6.70 0.03 1 887 84 TYR HE1 H 6.40 0.03 1 888 84 TYR HE2 H 6.40 0.03 1 889 84 TYR CD1 C 132.13 0.12 1 890 84 TYR CE1 C 117.03 0.12 1 891 84 TYR CE2 C 117.03 0.12 1 892 84 TYR CD2 C 132.13 0.12 1 893 84 TYR C C 175.65 0.12 1 894 85 GLU N N 120.17 0.15 1 895 85 GLU H H 8.95 0.03 1 896 85 GLU CA C 54.13 0.12 1 897 85 GLU HA H 4.64 0.03 1 898 85 GLU CB C 32.23 0.12 1 899 85 GLU HB2 H 1.46 0.03 2 900 85 GLU HB3 H 1.89 0.03 2 901 85 GLU CG C 36.13 0.12 1 902 85 GLU HG2 H 2.19 0.03 2 903 85 GLU HG3 H 2.29 0.03 2 904 85 GLU C C 175.55 0.12 1 905 86 VAL N N 122.67 0.15 1 906 86 VAL H H 8.48 0.03 1 907 86 VAL CA C 65.23 0.12 1 908 86 VAL HA H 3.58 0.03 1 909 86 VAL CB C 31.93 0.12 1 910 86 VAL HB H 1.96 0.03 1 911 86 VAL HG1 H 0.89 0.03 2 912 86 VAL HG2 H 1.01 0.03 2 913 86 VAL CG1 C 21.53 0.12 1 914 86 VAL CG2 C 22.03 0.12 1 915 86 VAL C C 173.55 0.12 1 916 87 LEU N N 126.07 0.15 1 917 87 LEU H H 8.77 0.03 1 918 87 LEU CA C 55.13 0.12 1 919 87 LEU HA H 4.54 0.03 1 920 87 LEU CB C 45.43 0.12 1 921 87 LEU HB2 H 1.36 0.03 1 922 87 LEU HB3 H 1.36 0.03 1 923 87 LEU CG C 26.83 0.12 1 924 87 LEU HG H 1.63 0.03 1 925 87 LEU HD1 H 0.80 0.03 2 926 87 LEU HD2 H 0.96 0.03 2 927 87 LEU CD1 C 26.33 0.12 1 928 87 LEU CD2 C 23.43 0.12 1 929 87 LEU C C 174.45 0.12 1 930 88 LEU N N 120.57 0.15 1 931 88 LEU H H 8.42 0.03 1 932 88 LEU CA C 53.03 0.12 1 933 88 LEU HA H 4.84 0.03 1 934 88 LEU CB C 46.13 0.12 1 935 88 LEU HB2 H 0.69 0.03 2 936 88 LEU HB3 H 1.63 0.03 2 937 88 LEU CG C 26.03 0.12 1 938 88 LEU HG H 1.45 0.03 1 939 88 LEU HD1 H -0.08 0.03 2 940 88 LEU HD2 H 0.40 0.03 2 941 88 LEU CD1 C 25.03 0.12 1 942 88 LEU CD2 C 23.23 0.12 1 943 88 LEU C C 174.45 0.12 1 944 89 VAL N N 122.67 0.15 1 945 89 VAL H H 8.14 0.03 1 946 89 VAL CA C 61.73 0.12 1 947 89 VAL HA H 4.02 0.03 1 948 89 VAL CB C 32.23 0.12 1 949 89 VAL HB H 2.04 0.03 1 950 89 VAL HG1 H 0.92 0.03 2 951 89 VAL HG2 H 1.02 0.03 2 952 89 VAL CG1 C 20.03 0.12 1 953 89 VAL CG2 C 21.23 0.12 1 954 89 VAL C C 174.45 0.12 1 955 90 THR N N 116.57 0.15 1 956 90 THR H H 8.05 0.03 1 957 90 THR CA C 65.43 0.12 1 958 90 THR HA H 3.88 0.03 1 959 90 THR CB C 69.23 0.12 1 960 90 THR HB H 3.80 0.03 1 961 90 THR HG2 H 0.97 0.03 1 962 90 THR CG2 C 22.03 0.12 1 963 90 THR C C 174.95 0.12 1 964 91 SER N N 125.17 0.15 1 965 91 SER H H 9.24 0.03 1 966 91 SER CA C 58.53 0.12 1 967 91 SER HA H 5.06 0.03 1 968 91 SER CB C 66.53 0.12 1 969 91 SER HB2 H 3.84 0.03 2 970 91 SER HB3 H 3.94 0.03 2 971 91 SER C C 173.55 0.12 1 972 92 SER N N 118.67 0.15 1 973 92 SER H H 8.96 0.03 1 974 92 SER CA C 58.43 0.12 1 975 92 SER HA H 4.96 0.03 1 976 92 SER CB C 64.03 0.12 1 977 92 SER HB2 H 3.82 0.03 2 978 92 SER HB3 H 3.93 0.03 2 979 92 SER C C 175.45 0.12 1 980 93 PHE N N 124.47 0.15 1 981 93 PHE H H 9.19 0.03 1 982 93 PHE CA C 58.93 0.12 1 983 93 PHE HA H 4.36 0.03 1 984 93 PHE CB C 43.43 0.12 1 985 93 PHE HB2 H 2.58 0.03 2 986 93 PHE HB3 H 3.03 0.03 2 987 93 PHE HD1 H 7.24 0.03 1 988 93 PHE HD2 H 7.24 0.03 1 989 93 PHE C C 176.15 0.12 1 990 94 MET N N 119.17 0.15 1 991 94 MET H H 7.71 0.03 1 992 94 MET CA C 55.83 0.12 1 993 94 MET HA H 4.58 0.03 1 994 94 MET CB C 40.33 0.12 1 995 94 MET HB2 H 1.56 0.03 2 996 94 MET HB3 H 2.27 0.03 2 997 94 MET CG C 32.43 0.12 1 998 94 MET HG2 H 2.35 0.03 2 999 94 MET HG3 H 2.42 0.03 2 1002 95 SER H H 9.57 0.03 1 1003 95 SER CA C 56.43 0.12 1 1004 95 SER HA H 4.76 0.03 1 1005 95 SER CB C 62.83 0.12 1 1006 95 SER HB2 H 3.87 0.03 2 1007 95 SER HB3 H 4.41 0.03 2 1008 96 PRO CA C 66.63 0.12 1 1009 96 PRO HA H 3.34 0.03 1 1010 96 PRO CB C 31.73 0.12 1 1011 96 PRO C C 178.15 0.12 1 1012 97 SER N N 110.77 0.15 1 1013 97 SER H H 7.95 0.03 1 1014 97 SER CA C 61.43 0.12 1 1015 97 SER HA H 4.02 0.03 1 1016 97 SER CB C 62.03 0.12 1 1017 97 SER HB2 H 3.79 0.03 1 1018 97 SER HB3 H 3.79 0.03 1 1019 97 SER C C 178.45 0.12 1 1020 98 GLU N N 123.37 0.15 1 1021 98 GLU H H 7.92 0.03 1 1022 98 GLU CA C 58.73 0.12 1 1023 98 GLU HA H 3.71 0.03 1 1024 98 GLU CB C 28.83 0.12 1 1025 98 GLU HB2 H 2.05 0.03 2 1026 98 GLU HB3 H 2.14 0.03 2 1027 98 GLU CG C 37.13 0.12 1 1028 98 GLU HG2 H 2.35 0.03 2 1029 98 GLU HG3 H 2.42 0.03 2 1030 98 GLU C C 178.85 0.12 1 1031 99 SER N N 113.87 0.15 1 1032 99 SER H H 8.45 0.03 1 1033 99 SER CA C 62.13 0.12 1 1034 99 SER HA H 4.17 0.03 1 1035 99 SER CB C 62.63 0.12 1 1036 99 SER HB2 H 3.96 0.03 1 1037 99 SER HB3 H 3.96 0.03 1 1038 99 SER C C 175.75 0.12 1 1039 100 ARG N N 118.87 0.15 1 1040 100 ARG H H 7.78 0.03 1 1041 100 ARG CA C 59.23 0.12 1 1042 100 ARG HA H 4.06 0.03 1 1043 100 ARG CB C 30.53 0.12 1 1044 100 ARG HB2 H 1.81 0.03 2 1045 100 ARG HB3 H 1.91 0.03 2 1046 100 ARG CG C 28.83 0.12 1 1047 100 ARG HG2 H 1.61 0.03 2 1048 100 ARG HG3 H 1.83 0.03 2 1049 100 ARG CD C 43.43 0.12 1 1050 100 ARG HD2 H 3.13 0.03 2 1051 100 ARG HD3 H 3.33 0.03 2 1052 100 ARG C C 177.35 0.12 1 1053 101 SER N N 110.97 0.15 1 1054 101 SER H H 7.80 0.03 1 1055 101 SER CA C 58.33 0.12 1 1056 101 SER HA H 4.49 0.03 1 1058 101 SER HB2 H 3.85 0.03 2 1059 101 SER HB3 H 4.04 0.03 2 1060 101 SER C C 175.15 0.12 1 1061 102 GLY N N 112.77 0.15 1 1062 102 GLY H H 8.00 0.03 1 1063 102 GLY CA C 46.13 0.12 1 1064 102 GLY HA2 H 3.82 0.03 2 1065 102 GLY HA3 H 3.98 0.03 2 1066 102 GLY C C 174.55 0.12 1 1067 103 SER N N 115.97 0.15 1 1068 103 SER H H 8.15 0.03 1 1069 103 SER CA C 57.83 0.12 1 1070 103 SER HA H 4.36 0.03 1 1071 103 SER CB C 63.93 0.12 1 1072 103 SER HB2 H 3.56 0.03 2 1073 103 SER HB3 H 3.74 0.03 2 1076 104 ASN H H 8.71 0.03 1 1077 104 ASN CA C 54.43 0.12 1 1078 104 ASN HA H 4.54 0.03 1 1079 104 ASN CB C 38.33 0.12 1 1080 104 ASN HB2 H 2.72 0.03 2 1081 104 ASN HB3 H 2.84 0.03 2 1082 104 ASN CG C 178.93 0.12 1 1083 104 ASN ND2 N 115.50 0.15 1 1084 104 ASN HD21 H 6.95 0.03 2 1085 104 ASN HD22 H 7.57 0.03 2 1086 105 PRO CA C 64.63 0.12 1 1087 105 PRO HA H 4.84 0.03 1 1088 105 PRO CB C 32.53 0.12 1 1089 105 PRO HB2 H 1.83 0.03 2 1090 105 PRO HB3 H 1.99 0.03 2 1091 105 PRO HD2 H 2.98 0.03 1 1092 105 PRO HD3 H 2.98 0.03 1 1093 105 PRO C C 176.25 0.12 1 1094 106 ASN N N 117.47 0.15 1 1095 106 ASN H H 8.47 0.03 1 1096 106 ASN CA C 52.23 0.12 1 1097 106 ASN HA H 5.34 0.03 1 1098 106 ASN CB C 39.83 0.12 1 1099 106 ASN HB2 H 2.73 0.03 2 1100 106 ASN HB3 H 3.10 0.03 2 1101 106 ASN CG C 178.33 0.12 1 1102 106 ASN ND2 N 111.60 0.15 1 1103 106 ASN HD21 H 7.10 0.03 2 1104 106 ASN HD22 H 7.63 0.03 2 1105 106 ASN C C 175.85 0.12 1 1106 107 ARG N N 119.47 0.15 1 1107 107 ARG H H 8.19 0.03 1 1108 107 ARG CA C 59.43 0.12 1 1109 107 ARG HA H 4.57 0.03 1 1110 107 ARG CB C 29.83 0.12 1 1111 107 ARG C C 175.35 0.12 1 1112 108 VAL N N 122.07 0.15 1 1113 108 VAL H H 8.39 0.03 1 1114 108 VAL CA C 60.33 0.12 1 1115 108 VAL HA H 5.23 0.03 1 1116 108 VAL CB C 33.63 0.12 1 1117 108 VAL HB H 2.05 0.03 1 1118 108 VAL HG1 H 0.98 0.03 2 1119 108 VAL HG2 H 1.24 0.03 2 1120 108 VAL CG1 C 20.93 0.12 1 1121 108 VAL CG2 C 21.23 0.12 1 1122 108 VAL C C 176.75 0.12 1 1123 109 ARG N N 124.97 0.15 1 1124 109 ARG H H 9.11 0.03 1 1125 109 ARG CA C 55.03 0.12 1 1126 109 ARG HA H 4.59 0.03 1 1127 109 ARG CB C 34.13 0.12 1 1128 109 ARG HB2 H 1.14 0.03 2 1129 109 ARG HB3 H 1.51 0.03 2 1130 109 ARG CG C 27.23 0.12 1 1131 109 ARG HG2 H 1.20 0.03 2 1132 109 ARG HG3 H 1.31 0.03 2 1133 109 ARG CD C 42.33 0.12 1 1134 109 ARG HD2 H 1.94 0.03 2 1135 109 ARG HD3 H 2.63 0.03 2 1136 109 ARG C C 176.05 0.12 1 1137 110 MET N N 121.07 0.15 1 1138 110 MET H H 8.08 0.03 1 1139 110 MET CA C 54.63 0.12 1 1140 110 MET HA H 5.15 0.03 1 1141 110 MET CB C 34.43 0.12 1 1142 110 MET HB2 H 1.83 0.03 2 1143 110 MET HB3 H 1.97 0.03 2 1144 110 MET CG C 32.43 0.12 1 1145 110 MET HG2 H 2.47 0.03 2 1146 110 MET HG3 H 2.55 0.03 2 1147 110 MET C C 175.15 0.12 1 1148 111 PHE N N 123.97 0.15 1 1149 111 PHE H H 9.60 0.03 1 1150 111 PHE CA C 56.93 0.12 1 1151 111 PHE HA H 4.57 0.03 1 1153 111 PHE HB2 H 2.72 0.03 2 1154 111 PHE HB3 H 3.18 0.03 2 1155 111 PHE HD1 H 7.18 0.03 1 1156 111 PHE HD2 H 7.18 0.03 1 1159 112 GLY H H 8.34 0.03 1 1160 112 GLY CA C 43.93 0.12 1 1161 112 GLY HA2 H 3.86 0.03 2 1162 112 GLY HA3 H 4.41 0.03 2 1163 113 PRO CD C 49.03 0.12 1 1164 113 PRO CA C 65.33 0.12 1 1165 113 PRO HA H 4.12 0.03 1 1166 113 PRO CB C 31.63 0.12 1 1167 113 PRO HB2 H 1.90 0.03 2 1168 113 PRO HB3 H 2.20 0.03 2 1169 113 PRO CG C 27.13 0.12 1 1170 113 PRO HG2 H 1.56 0.03 2 1171 113 PRO HG3 H 1.86 0.03 2 1172 113 PRO HD2 H 3.00 0.03 2 1173 113 PRO HD3 H 3.58 0.03 2 1174 113 PRO C C 178.55 0.12 1 1175 114 ASP N N 112.57 0.15 1 1176 114 ASP H H 8.71 0.03 1 1177 114 ASP CA C 55.03 0.12 1 1178 114 ASP HA H 4.47 0.03 1 1179 114 ASP CB C 39.53 0.12 1 1180 114 ASP HB2 H 2.74 0.03 1 1181 114 ASP HB3 H 2.74 0.03 1 1182 114 ASP C C 176.85 0.12 1 1183 115 LYS N N 117.67 0.15 1 1184 115 LYS H H 8.30 0.03 1 1185 115 LYS CA C 54.73 0.12 1 1186 115 LYS HA H 4.57 0.03 1 1187 115 LYS CB C 33.93 0.12 1 1188 115 LYS HB2 H 2.14 0.03 2 1189 115 LYS HB3 H 2.36 0.03 2 1190 115 LYS CG C 25.13 0.12 1 1191 115 LYS HG2 H 1.58 0.03 2 1192 115 LYS HG3 H 1.75 0.03 2 1193 115 LYS CD C 28.23 0.12 1 1194 115 LYS HD2 H 1.80 0.03 1 1195 115 LYS HD3 H 1.80 0.03 1 1196 115 LYS CE C 42.23 0.12 1 1197 115 LYS HE2 H 3.09 0.03 2 1198 115 LYS HE3 H 3.14 0.03 2 1199 115 LYS C C 175.65 0.12 1 1200 116 LEU N N 117.87 0.15 1 1201 116 LEU H H 7.09 0.03 1 1202 116 LEU CA C 53.03 0.12 1 1203 116 LEU HA H 4.81 0.03 1 1204 116 LEU CB C 42.33 0.12 1 1205 116 LEU HB2 H 1.39 0.03 2 1206 116 LEU HB3 H 1.68 0.03 2 1207 116 LEU CG C 25.83 0.12 1 1208 116 LEU HG H 1.99 0.03 1 1209 116 LEU HD1 H 0.66 0.03 2 1210 116 LEU HD2 H 0.71 0.03 2 1211 116 LEU CD1 C 22.43 0.12 1 1212 116 LEU CD2 C 25.93 0.12 1 1213 116 LEU C C 176.75 0.12 1 1214 117 VAL N N 122.87 0.15 1 1215 117 VAL H H 9.11 0.03 1 1216 117 VAL CA C 64.03 0.12 1 1217 117 VAL HA H 3.87 0.03 1 1218 117 VAL CB C 31.23 0.12 1 1219 117 VAL HB H 2.38 0.03 1 1220 117 VAL HG1 H 0.94 0.03 2 1221 117 VAL HG2 H 1.13 0.03 2 1222 117 VAL CG1 C 21.83 0.12 1 1223 117 VAL CG2 C 22.03 0.12 1 1224 117 VAL C C 177.95 0.12 1 1225 118 ARG N N 131.57 0.15 1 1226 118 ARG H H 8.69 0.03 1 1227 118 ARG CA C 59.43 0.12 1 1228 118 ARG HA H 3.92 0.03 1 1229 118 ARG CB C 28.73 0.12 1 1230 118 ARG HB2 H 1.97 0.03 2 1231 118 ARG HB3 H 2.01 0.03 2 1232 118 ARG CG C 25.63 0.12 1 1233 118 ARG HG2 H 1.82 0.03 1 1234 118 ARG HG3 H 1.82 0.03 1 1235 118 ARG CD C 42.43 0.12 1 1236 118 ARG HD2 H 3.29 0.03 1 1237 118 ARG HD3 H 3.29 0.03 1 1238 118 ARG C C 177.65 0.12 1 1239 119 ALA N N 117.17 0.15 1 1240 119 ALA H H 8.67 0.03 1 1241 119 ALA CA C 54.83 0.12 1 1242 119 ALA HA H 4.13 0.03 1 1243 119 ALA HB H 1.46 0.03 1 1244 119 ALA CB C 18.43 0.12 1 1245 119 ALA C C 179.95 0.12 1 1246 120 ALA N N 116.37 0.15 1 1247 120 ALA H H 6.89 0.03 1 1248 120 ALA CA C 53.83 0.12 1 1249 120 ALA HA H 4.66 0.03 1 1250 120 ALA HB H 1.44 0.03 1 1251 120 ALA CB C 19.73 0.12 1 1252 120 ALA C C 179.65 0.12 1 1253 121 ALA N N 121.57 0.15 1 1254 121 ALA H H 8.81 0.03 1 1255 121 ALA CA C 54.53 0.12 1 1256 121 ALA HA H 4.37 0.03 1 1257 121 ALA HB H 1.58 0.03 1 1258 121 ALA CB C 19.13 0.12 1 1259 121 ALA C C 178.75 0.12 1 1260 122 GLU N N 113.07 0.15 1 1261 122 GLU H H 7.72 0.03 1 1262 122 GLU CA C 56.73 0.12 1 1263 122 GLU HA H 4.20 0.03 1 1264 122 GLU CB C 30.23 0.12 1 1265 122 GLU HB2 H 2.00 0.03 2 1266 122 GLU HB3 H 2.17 0.03 2 1267 122 GLU CG C 36.53 0.12 1 1268 122 GLU HG2 H 2.42 0.03 2 1269 122 GLU HG3 H 2.50 0.03 2 1270 122 GLU C C 176.55 0.12 1 1271 123 LYS N N 119.37 0.15 1 1272 123 LYS H H 7.35 0.03 1 1273 123 LYS CA C 55.23 0.12 1 1274 123 LYS HA H 4.28 0.03 1 1275 123 LYS CB C 34.33 0.12 1 1276 123 LYS HB2 H 1.25 0.03 2 1277 123 LYS HB3 H 1.68 0.03 2 1278 123 LYS CG C 25.93 0.12 1 1279 123 LYS HG2 H 1.24 0.03 2 1280 123 LYS HG3 H 1.63 0.03 2 1281 123 LYS CD C 29.43 0.12 1 1282 123 LYS HD2 H 1.74 0.03 1 1283 123 LYS HD3 H 1.74 0.03 1 1284 123 LYS CE C 41.93 0.12 1 1285 123 LYS HE2 H 2.96 0.03 1 1286 123 LYS HE3 H 2.96 0.03 1 1287 123 LYS C C 173.05 0.12 1 1288 124 ARG N N 114.67 0.15 1 1289 124 ARG H H 7.26 0.03 1 1290 124 ARG CA C 54.33 0.12 1 1291 124 ARG HA H 4.57 0.03 1 1292 124 ARG CB C 32.53 0.12 1 1293 124 ARG HB2 H 1.15 0.03 2 1294 124 ARG HB3 H 1.30 0.03 2 1295 124 ARG CG C 28.03 0.12 1 1296 124 ARG HG2 H 1.22 0.03 2 1297 124 ARG HG3 H 1.49 0.03 2 1298 124 ARG CD C 43.33 0.12 1 1299 124 ARG HD2 H 2.96 0.03 2 1300 124 ARG HD3 H 3.06 0.03 2 1301 124 ARG C C 175.15 0.12 1 1302 125 TRP N N 120.07 0.15 1 1303 125 TRP H H 8.48 0.03 1 1304 125 TRP CA C 56.13 0.12 1 1305 125 TRP HA H 5.08 0.03 1 1306 125 TRP CB C 35.23 0.12 1 1307 125 TRP HB2 H 2.55 0.03 2 1308 125 TRP HB3 H 3.93 0.03 2 1309 125 TRP CD1 C 128.03 0.12 1 1310 125 TRP CE3 C 120.33 0.12 1 1311 125 TRP NE1 N 129.50 0.15 1 1312 125 TRP HD1 H 7.20 0.03 1 1313 125 TRP HE3 H 7.35 0.03 1 1314 125 TRP CZ3 C 120.33 0.12 1 1315 125 TRP CZ2 C 114.43 0.12 1 1316 125 TRP HE1 H 10.18 0.03 1 1317 125 TRP HZ3 H 7.01 0.03 1 1318 125 TRP CH2 C 123.33 0.12 1 1319 125 TRP HZ2 H 7.30 0.03 1 1320 125 TRP HH2 H 7.14 0.03 1 1321 125 TRP C C 175.55 0.12 1 1322 126 ASP N N 114.27 0.15 1 1323 126 ASP H H 8.18 0.03 1 1324 126 ASP CA C 53.13 0.12 1 1325 126 ASP HA H 5.13 0.03 1 1326 126 ASP CB C 41.53 0.12 1 1327 126 ASP HB2 H 2.21 0.03 2 1328 126 ASP HB3 H 2.91 0.03 2 1329 126 ASP C C 174.35 0.12 1 1330 127 ARG N N 118.67 0.15 1 1331 127 ARG H H 8.32 0.03 1 1332 127 ARG CA C 54.93 0.12 1 1333 127 ARG HA H 5.36 0.03 1 1334 127 ARG CB C 35.33 0.12 1 1335 127 ARG HB2 H 1.39 0.03 2 1336 127 ARG HB3 H 1.61 0.03 2 1337 127 ARG CG C 28.23 0.12 1 1338 127 ARG HG2 H 1.50 0.03 2 1339 127 ARG HG3 H 1.68 0.03 2 1340 127 ARG CD C 44.33 0.12 1 1341 127 ARG HD2 H 2.78 0.03 2 1342 127 ARG HD3 H 2.93 0.03 2 1343 127 ARG C C 174.55 0.12 1 1344 128 VAL N N 113.97 0.15 1 1345 128 VAL H H 8.41 0.03 1 1346 128 VAL CA C 58.53 0.12 1 1347 128 VAL HA H 4.97 0.03 1 1348 128 VAL CB C 35.33 0.12 1 1349 128 VAL HB H 1.56 0.03 1 1350 128 VAL HG1 H 0.44 0.03 2 1351 128 VAL HG2 H 0.43 0.03 2 1352 128 VAL CG1 C 19.93 0.12 1 1353 128 VAL CG2 C 21.43 0.12 1 1354 128 VAL C C 172.85 0.12 1 1355 129 LYS N N 126.27 0.15 1 1356 129 LYS H H 9.29 0.03 1 1357 129 LYS CA C 53.43 0.12 1 1358 129 LYS HA H 5.46 0.03 1 1359 129 LYS CB C 36.33 0.12 1 1360 129 LYS HB2 H 1.04 0.03 2 1361 129 LYS HB3 H 1.34 0.03 2 1362 129 LYS CG C 24.63 0.12 1 1363 129 LYS HG2 H 0.81 0.03 2 1364 129 LYS HG3 H 1.02 0.03 2 1365 129 LYS CD C 29.33 0.12 1 1366 129 LYS HD2 H 0.84 0.03 2 1367 129 LYS HD3 H 0.98 0.03 2 1368 129 LYS CE C 41.53 0.12 1 1369 129 LYS HE2 H 2.29 0.03 2 1370 129 LYS HE3 H 2.35 0.03 2 1371 129 LYS C C 173.75 0.12 1 1372 130 ILE N N 126.87 0.15 1 1373 130 ILE H H 9.12 0.03 1 1374 130 ILE CA C 60.33 0.12 1 1375 130 ILE HA H 4.94 0.03 1 1376 130 ILE CB C 39.83 0.12 1 1377 130 ILE HB H 1.82 0.03 1 1378 130 ILE HG2 H 1.03 0.03 1 1379 130 ILE CG2 C 19.53 0.12 1 1380 130 ILE CG1 C 28.53 0.12 1 1381 130 ILE HG12 H 1.08 0.03 2 1382 130 ILE HG13 H 1.62 0.03 2 1383 130 ILE HD1 H 0.90 0.03 1 1384 130 ILE CD1 C 15.43 0.12 1 1385 130 ILE C C 174.55 0.12 1 1386 131 VAL N N 126.27 0.15 1 1387 131 VAL H H 8.84 0.03 1 1388 131 VAL CA C 61.23 0.12 1 1389 131 VAL HA H 4.94 0.03 1 1390 131 VAL CB C 34.13 0.12 1 1391 131 VAL HB H 2.10 0.03 1 1392 131 VAL HG1 H 0.75 0.03 2 1393 131 VAL HG2 H 0.87 0.03 2 1394 131 VAL CG1 C 20.63 0.12 1 1395 131 VAL CG2 C 21.23 0.12 1 1396 131 VAL C C 176.75 0.12 1 1397 132 CYS N N 126.47 0.15 1 1398 132 CYS H H 9.47 0.03 1 1399 132 CYS CA C 57.23 0.12 1 1400 132 CYS HA H 5.51 0.03 1 1401 132 CYS CB C 29.53 0.12 1 1402 132 CYS HB2 H 2.75 0.03 2 1403 132 CYS HB3 H 3.43 0.03 2 1404 132 CYS C C 174.15 0.12 1 1405 133 SER N N 114.77 0.15 1 1406 133 SER H H 9.10 0.03 1 1407 133 SER CA C 56.73 0.12 1 1408 133 SER HA H 5.65 0.03 1 1409 133 SER CB C 66.33 0.12 1 1410 133 SER HB2 H 3.68 0.03 2 1411 133 SER HB3 H 3.81 0.03 2 1414 134 GLN H H 8.55 0.03 1 1415 134 GLN CA C 52.03 0.12 1 1416 134 GLN HA H 4.18 0.03 1 1417 134 GLN CB C 26.93 0.12 1 1418 135 PRO CD C 49.33 0.12 1 1419 135 PRO CA C 62.83 0.12 1 1420 135 PRO HA H 4.35 0.03 1 1421 135 PRO CB C 31.93 0.12 1 1422 135 PRO HB2 H 1.87 0.03 2 1423 135 PRO HB3 H 2.21 0.03 2 1424 135 PRO CG C 26.83 0.12 1 1425 135 PRO HG2 H 1.88 0.03 1 1426 135 PRO HG3 H 1.88 0.03 1 1427 135 PRO HD2 H 2.89 0.03 2 1428 135 PRO HD3 H 3.10 0.03 2 1429 135 PRO C C 176.65 0.12 1 1430 136 TYR N N 117.37 0.15 1 1431 136 TYR H H 7.98 0.03 1 1432 136 TYR CA C 57.83 0.12 1 1433 136 TYR HA H 4.68 0.03 1 1434 136 TYR CB C 38.93 0.12 1 1435 136 TYR HB2 H 2.93 0.03 2 1436 136 TYR HB3 H 3.19 0.03 2 1437 136 TYR HD1 H 7.19 0.03 1 1438 136 TYR HD2 H 7.19 0.03 1 1439 136 TYR HE1 H 6.81 0.03 1 1440 136 TYR HE2 H 6.81 0.03 1 1441 136 TYR CD1 C 132.83 0.12 1 1442 136 TYR CE1 C 118.53 0.12 1 1443 136 TYR CE2 C 118.53 0.12 1 1444 136 TYR CD2 C 132.83 0.12 1 1445 136 TYR C C 175.15 0.12 1 1446 137 SER N N 111.07 0.15 1 1447 137 SER H H 6.99 0.03 1 1448 137 SER CA C 56.03 0.12 1 1449 137 SER HA H 4.60 0.03 1 1450 137 SER CB C 63.93 0.12 1 1451 137 SER HB2 H 3.34 0.03 2 1452 137 SER HB3 H 3.60 0.03 2 1453 137 SER C C 174.15 0.12 1 1454 138 LYS N N 123.87 0.15 1 1455 138 LYS H H 8.77 0.03 1 1456 138 LYS CA C 55.73 0.12 1 1457 138 LYS HA H 4.68 0.03 1 1458 138 LYS CB C 32.73 0.12 1 1459 138 LYS HB2 H 1.76 0.03 2 1460 138 LYS HB3 H 1.90 0.03 2 1461 138 LYS CG C 24.23 0.12 1 1462 138 LYS HG2 H 1.34 0.03 2 1463 138 LYS HG3 H 1.41 0.03 2 1464 138 LYS CD C 29.13 0.12 1 1465 138 LYS HD2 H 1.67 0.03 1 1466 138 LYS HD3 H 1.67 0.03 1 1467 138 LYS CE C 41.73 0.12 1 1468 138 LYS HE2 H 2.98 0.03 1 1469 138 LYS HE3 H 2.98 0.03 1 1470 138 LYS C C 175.85 0.12 1 1471 139 ASP N N 116.57 0.15 1 1472 139 ASP H H 7.92 0.03 1 1473 139 ASP CA C 55.83 0.12 1 1474 139 ASP HA H 4.53 0.03 1 1475 139 ASP CB C 41.73 0.12 1 1476 139 ASP HB2 H 2.60 0.03 2 1477 139 ASP HB3 H 2.71 0.03 2 1480 140 SER H H 7.77 0.03 1 1481 140 SER CA C 55.83 0.12 1 1482 140 SER HA H 5.11 0.03 1 1483 140 SER CB C 64.63 0.12 1 1484 140 SER HB2 H 3.70 0.03 2 1485 140 SER HB3 H 3.85 0.03 2 1486 141 PRO CD C 51.03 0.12 1 1487 141 PRO CA C 63.13 0.12 1 1488 141 PRO HA H 4.37 0.03 1 1489 141 PRO CB C 32.53 0.12 1 1490 141 PRO HB2 H 1.61 0.03 2 1491 141 PRO HB3 H 1.70 0.03 2 1492 141 PRO CG C 27.63 0.12 1 1493 141 PRO HG2 H 2.05 0.03 2 1494 141 PRO HG3 H 2.10 0.03 2 1495 141 PRO HD2 H 3.67 0.03 2 1496 141 PRO HD3 H 3.83 0.03 2 1497 141 PRO C C 172.95 0.12 1 1498 142 PHE N N 113.77 0.15 1 1499 142 PHE H H 6.15 0.03 1 1500 142 PHE CA C 54.43 0.12 1 1501 142 PHE HA H 4.96 0.03 1 1503 142 PHE HB2 H 2.69 0.03 2 1504 142 PHE HB3 H 2.89 0.03 2 1505 142 PHE HD1 H 7.20 0.03 1 1506 142 PHE HD2 H 7.20 0.03 1 1507 142 PHE C C 171.45 0.12 1 1508 143 GLY N N 105.57 0.15 1 1509 143 GLY H H 7.59 0.03 1 1510 143 GLY CA C 45.73 0.12 1 1511 143 GLY HA2 H 2.81 0.03 2 1512 143 GLY HA3 H 4.36 0.03 2 1513 143 GLY C C 172.25 0.12 1 1514 144 LEU N N 121.77 0.15 1 1515 144 LEU H H 9.00 0.03 1 1516 144 LEU CA C 53.63 0.12 1 1517 144 LEU HA H 4.71 0.03 1 1518 144 LEU CB C 47.53 0.12 1 1519 144 LEU HB2 H 1.48 0.03 2 1520 144 LEU HB3 H 1.73 0.03 2 1521 144 LEU CG C 26.43 0.12 1 1522 144 LEU HG H 1.77 0.03 1 1523 144 LEU HD1 H 0.81 0.03 2 1524 144 LEU HD2 H 0.87 0.03 2 1525 144 LEU CD1 C 23.53 0.12 1 1526 144 LEU CD2 C 26.33 0.12 1 1527 144 LEU C C 175.05 0.12 1 1528 145 SER N N 114.27 0.15 1 1529 145 SER H H 8.54 0.03 1 1530 145 SER CA C 60.23 0.12 1 1531 145 SER HA H 4.47 0.03 1 1532 145 SER CB C 63.73 0.12 1 1533 145 SER HB2 H 3.58 0.03 2 1534 145 SER HB3 H 3.74 0.03 2 1535 145 SER C C 173.95 0.12 1 1536 146 PHE N N 110.57 0.15 1 1537 146 PHE H H 7.69 0.03 1 1538 146 PHE CA C 57.23 0.12 1 1539 146 PHE HA H 4.89 0.03 1 1540 146 PHE CB C 40.33 0.12 1 1541 146 PHE HB2 H 3.02 0.03 2 1542 146 PHE HB3 H 3.44 0.03 2 1543 146 PHE HD1 H 6.85 0.03 1 1544 146 PHE HD2 H 6.85 0.03 1 1545 146 PHE HE1 H 7.15 0.03 1 1546 146 PHE HE2 H 7.15 0.03 1 1547 146 PHE CD1 C 131.83 0.12 1 1548 146 PHE CE1 C 130.43 0.12 1 1549 146 PHE HZ H 7.26 0.03 1 1550 146 PHE CE2 C 130.43 0.12 1 1551 146 PHE CD2 C 131.83 0.12 1 1552 146 PHE C C 172.35 0.12 1 1553 147 VAL N N 114.87 0.15 1 1554 147 VAL H H 9.03 0.03 1 1555 147 VAL CA C 59.93 0.12 1 1556 147 VAL HA H 4.98 0.03 1 1557 147 VAL CB C 35.33 0.12 1 1558 147 VAL HB H 1.83 0.03 1 1559 147 VAL HG1 H 0.72 0.03 2 1560 147 VAL HG2 H 0.86 0.03 2 1561 147 VAL CG1 C 20.73 0.12 1 1562 147 VAL CG2 C 21.23 0.12 1 1563 147 VAL C C 173.05 0.12 1 1564 148 ARG N N 122.97 0.15 1 1565 148 ARG H H 8.94 0.03 1 1566 148 ARG CA C 54.93 0.12 1 1567 148 ARG HA H 4.57 0.03 1 1568 148 ARG CB C 34.63 0.12 1 1569 148 ARG HB2 H 1.73 0.03 2 1570 148 ARG HB3 H 1.84 0.03 2 1571 148 ARG CG C 27.83 0.12 1 1572 148 ARG HG2 H 1.57 0.03 2 1573 148 ARG HG3 H 1.79 0.03 2 1574 148 ARG CD C 43.53 0.12 1 1575 148 ARG HD2 H 3.16 0.03 2 1576 148 ARG HD3 H 3.22 0.03 2 1577 148 ARG NE N 84.50 0.15 1 1578 148 ARG HE H 7.51 0.03 1 1579 148 ARG C C 173.05 0.12 1 1580 149 PHE N N 122.37 0.15 1 1581 149 PHE H H 9.68 0.03 1 1582 149 PHE CA C 56.33 0.12 1 1583 149 PHE HA H 5.07 0.03 1 1584 149 PHE CB C 42.63 0.12 1 1585 149 PHE HB2 H 2.82 0.03 2 1586 149 PHE HB3 H 2.99 0.03 2 1587 149 PHE HD1 H 7.30 0.03 1 1588 149 PHE HD2 H 7.30 0.03 1 1589 149 PHE HE1 H 7.00 0.03 1 1590 149 PHE HE2 H 7.00 0.03 1 1591 149 PHE CD1 C 131.83 0.12 1 1592 149 PHE CE1 C 130.13 0.12 1 1593 149 PHE CZ C 128.63 0.12 1 1594 149 PHE HZ H 6.91 0.03 1 1595 149 PHE CE2 C 130.13 0.12 1 1596 149 PHE CD2 C 131.83 0.12 1 1597 149 PHE C C 174.15 0.12 1 1598 150 HIS N N 119.47 0.15 1 1599 150 HIS H H 8.85 0.03 1 1600 150 HIS CA C 54.73 0.12 1 1601 150 HIS HA H 5.49 0.03 1 1602 150 HIS CB C 32.53 0.12 1 1603 150 HIS HB2 H 3.22 0.03 2 1604 150 HIS HB3 H 3.33 0.03 2 1605 150 HIS CD2 C 119.13 0.12 1 1606 150 HIS CE1 C 138.43 0.12 1 1607 150 HIS HD2 H 6.64 0.03 1 1608 150 HIS HE1 H 7.81 0.03 1 1611 151 SER H H 9.40 0.03 1 1612 151 SER CA C 56.03 0.12 1 1613 151 SER HA H 5.66 0.03 1 1614 151 SER CB C 62.83 0.12 1 1615 151 SER HB2 H 3.88 0.03 2 1616 151 SER HB3 H 4.52 0.03 2 1617 152 PRO CD C 50.13 0.12 1 1618 152 PRO CA C 62.63 0.12 1 1619 152 PRO HA H 4.69 0.03 1 1620 152 PRO CB C 34.13 0.12 1 1621 152 PRO HB2 H 2.18 0.03 2 1622 152 PRO HB3 H 2.37 0.03 2 1623 152 PRO CG C 24.83 0.12 1 1624 152 PRO HG2 H 1.84 0.03 2 1625 152 PRO HG3 H 1.97 0.03 2 1626 152 PRO HD2 H 3.51 0.03 2 1627 152 PRO HD3 H 3.59 0.03 2 1628 153 PRO CD C 49.23 0.12 1 1629 153 PRO CA C 62.63 0.12 1 1630 153 PRO HA H 4.54 0.03 1 1631 153 PRO CB C 31.93 0.12 1 1632 153 PRO HB2 H 2.01 0.03 2 1633 153 PRO HB3 H 2.55 0.03 2 1634 153 PRO CG C 26.53 0.12 1 1635 153 PRO HG2 H 2.09 0.03 1 1636 153 PRO HG3 H 2.09 0.03 1 1637 153 PRO HD2 H 3.29 0.03 2 1638 153 PRO HD3 H 3.46 0.03 2 1639 153 PRO C C 176.45 0.12 1 1640 154 ASP N N 120.97 0.15 1 1641 154 ASP H H 8.42 0.03 1 1642 154 ASP CA C 54.43 0.12 1 1643 154 ASP HA H 4.57 0.03 1 1644 154 ASP CB C 41.03 0.12 1 1645 154 ASP HB2 H 2.61 0.03 2 1646 154 ASP HB3 H 2.72 0.03 2 1647 154 ASP C C 176.25 0.12 1 1648 155 LYS N N 120.87 0.15 1 1649 155 LYS H H 8.26 0.03 1 1650 155 LYS CA C 56.43 0.12 1 1651 155 LYS HA H 4.29 0.03 1 1652 155 LYS CB C 33.03 0.12 1 1653 155 LYS HB2 H 1.79 0.03 1 1654 155 LYS HB3 H 1.79 0.03 1 1655 155 LYS CG C 24.63 0.12 1 1656 155 LYS HG2 H 1.40 0.03 1 1657 155 LYS HG3 H 1.40 0.03 1 1658 155 LYS CD C 28.93 0.12 1 1659 155 LYS HD2 H 1.70 0.03 1 1660 155 LYS HD3 H 1.70 0.03 1 1661 155 LYS CE C 41.93 0.12 1 1662 155 LYS HE2 H 3.00 0.03 1 1663 155 LYS HE3 H 3.00 0.03 1 1664 155 LYS C C 176.15 0.12 1 1665 156 ASP N N 120.97 0.15 1 1666 156 ASP H H 8.41 0.03 1 1667 156 ASP CA C 54.43 0.12 1 1668 156 ASP HA H 4.60 0.03 1 1669 156 ASP CB C 40.93 0.12 1 1670 156 ASP HB2 H 2.58 0.03 1 1671 156 ASP HB3 H 2.58 0.03 1 1672 156 ASP C C 176.25 0.12 1 1673 157 GLU N N 121.17 0.15 1 1674 157 GLU H H 8.26 0.03 1 1675 157 GLU CA C 56.33 0.12 1 1676 157 GLU HA H 4.25 0.03 1 1677 157 GLU CB C 30.13 0.12 1 1678 157 GLU HB2 H 1.98 0.03 1 1679 157 GLU HB3 H 1.98 0.03 1 1680 157 GLU CG C 36.03 0.12 1 1681 157 GLU HG2 H 2.25 0.03 1 1682 157 GLU HG3 H 2.25 0.03 1 1683 157 GLU C C 176.15 0.12 1 1684 158 ALA N N 124.17 0.15 1 1685 158 ALA H H 8.28 0.03 1 1686 158 ALA CA C 52.43 0.12 1 1687 158 ALA HA H 4.29 0.03 1 1688 158 ALA HB H 1.38 0.03 1 1689 158 ALA CB C 19.03 0.12 1 1690 158 ALA C C 177.65 0.12 1 1691 159 GLU N N 119.37 0.15 1 1692 159 GLU H H 8.24 0.03 1 1693 159 GLU CA C 55.93 0.12 1 1694 159 GLU HA H 4.26 0.03 1 1695 159 GLU CB C 30.13 0.12 1 1696 159 GLU HB2 H 1.94 0.03 1 1697 159 GLU HB3 H 1.94 0.03 1 1698 159 GLU CG C 36.13 0.12 1 1699 159 GLU HG2 H 2.25 0.03 1 1700 159 GLU HG3 H 2.25 0.03 1 1703 160 ALA H H 8.29 0.03 1 1704 160 ALA CA C 50.53 0.12 1 1705 160 ALA HA H 4.60 0.03 1 1706 160 ALA HB H 1.37 0.03 1 1707 160 ALA CB C 18.13 0.12 1 1708 161 PRO CD C 50.43 0.12 1 1709 161 PRO CA C 63.23 0.12 1 1710 161 PRO HA H 4.45 0.03 1 1711 161 PRO CB C 32.03 0.12 1 1712 161 PRO HB2 H 1.94 0.03 2 1713 161 PRO HB3 H 2.33 0.03 2 1714 161 PRO CG C 27.43 0.12 1 1715 161 PRO HG2 H 2.05 0.03 1 1716 161 PRO HG3 H 2.05 0.03 1 1717 161 PRO HD2 H 3.68 0.03 2 1718 161 PRO HD3 H 3.82 0.03 2 1719 161 PRO C C 177.05 0.12 1 1720 162 SER N N 115.27 0.15 1 1721 162 SER H H 8.38 0.03 1 1722 162 SER CA C 58.33 0.12 1 1723 162 SER HA H 4.40 0.03 1 1724 162 SER CB C 63.53 0.12 1 1725 162 SER HB2 H 3.87 0.03 1 1726 162 SER HB3 H 3.87 0.03 1 1727 162 SER C C 174.65 0.12 1 1728 163 GLN N N 121.47 0.15 1 1729 163 GLN H H 8.38 0.03 1 1730 163 GLN CA C 55.53 0.12 1 1731 163 GLN HA H 4.37 0.03 1 1732 163 GLN CB C 29.43 0.12 1 1733 163 GLN HB2 H 1.99 0.03 2 1734 163 GLN HB3 H 2.13 0.03 2 1735 163 GLN CG C 33.83 0.12 1 1736 163 GLN HG2 H 2.35 0.03 1 1737 163 GLN HG3 H 2.35 0.03 1 1738 163 GLN CD C 180.43 0.12 1 1739 163 GLN NE2 N 112.80 0.15 1 1740 163 GLN HE21 H 6.88 0.03 2 1741 163 GLN HE22 H 7.54 0.03 2 1742 163 GLN C C 175.65 0.12 1 1743 164 LYS N N 122.17 0.15 1 1744 164 LYS H H 8.28 0.03 1 1745 164 LYS CA C 56.13 0.12 1 1746 164 LYS HA H 4.30 0.03 1 1747 164 LYS CB C 32.63 0.12 1 1748 164 LYS HB2 H 1.79 0.03 1 1749 164 LYS HB3 H 1.79 0.03 1 1750 164 LYS CG C 24.73 0.12 1 1751 164 LYS HG2 H 1.46 0.03 1 1752 164 LYS HG3 H 1.46 0.03 1 1753 164 LYS CE C 42.03 0.12 1 1754 164 LYS HE2 H 3.00 0.03 1 1755 164 LYS HE3 H 3.00 0.03 1 1756 164 LYS C C 175.65 0.12 1 1757 165 VAL N N 121.47 0.15 1 1758 165 VAL H H 8.20 0.03 1 1759 165 VAL CA C 62.13 0.12 1 1760 165 VAL HA H 4.21 0.03 1 1761 165 VAL CB C 32.73 0.12 1 1762 165 VAL HB H 2.08 0.03 1 1763 165 VAL HG1 H 0.93 0.03 1 1764 165 VAL HG2 H 0.93 0.03 1 1765 165 VAL CG1 C 20.63 0.12 1 1766 165 VAL CG2 C 20.63 0.12 1 1767 165 VAL C C 176.05 0.12 1 1768 166 THR N N 118.27 0.15 1 1769 166 THR H H 8.26 0.03 1 1770 166 THR CA C 61.63 0.12 1 1771 166 THR HA H 4.38 0.03 1 1772 166 THR CB C 69.63 0.12 1 1773 166 THR HB H 4.18 0.03 1 1774 166 THR HG2 H 1.18 0.03 1 1775 166 THR CG2 C 21.53 0.12 1 1776 166 THR C C 174.25 0.12 1 1777 167 VAL N N 122.77 0.15 1 1778 167 VAL H H 8.26 0.03 1 1779 167 VAL CA C 62.13 0.12 1 1780 167 VAL HA H 4.18 0.03 1 1781 167 VAL CB C 32.53 0.12 1 1782 167 VAL HB H 2.08 0.03 1 1783 167 VAL HG1 H 0.90 0.03 1 1784 167 VAL HG2 H 0.90 0.03 1 1785 167 VAL CG1 C 20.53 0.12 1 1786 167 VAL CG2 C 20.53 0.12 1 1787 167 VAL C C 176.05 0.12 1 1788 168 THR N N 118.87 0.15 1 1789 168 THR H H 8.32 0.03 1 1790 168 THR CA C 61.73 0.12 1 1791 168 THR HA H 4.34 0.03 1 1792 168 THR CB C 69.63 0.12 1 1793 168 THR HB H 4.19 0.03 1 1794 168 THR HG2 H 1.20 0.03 1 1795 168 THR CG2 C 21.53 0.12 1 1796 168 THR C C 174.25 0.12 1 1797 169 LYS N N 123.67 0.15 1 1798 169 LYS H H 8.37 0.03 1 1799 169 LYS CA C 56.23 0.12 1 1800 169 LYS HA H 4.33 0.03 1 1801 169 LYS CB C 32.63 0.12 1 1802 169 LYS HB2 H 1.83 0.03 1 1803 169 LYS HB3 H 1.83 0.03 1 1804 169 LYS CG C 24.93 0.12 1 1805 169 LYS HG2 H 1.42 0.03 1 1806 169 LYS HG3 H 1.42 0.03 1 1807 169 LYS CD C 28.93 0.12 1 1808 169 LYS HD2 H 1.67 0.03 1 1809 169 LYS HD3 H 1.67 0.03 1 1810 169 LYS CE C 42.13 0.12 1 1811 169 LYS HE2 H 2.98 0.03 1 1812 169 LYS HE3 H 2.98 0.03 1 1813 169 LYS C C 176.35 0.12 1 1814 170 LEU N N 122.57 0.15 1 1815 170 LEU H H 8.25 0.03 1 1816 170 LEU CA C 55.33 0.12 1 1817 170 LEU HA H 4.34 0.03 1 1819 170 LEU HB2 H 1.61 0.03 1 1820 170 LEU HB3 H 1.61 0.03 1 1821 170 LEU CG C 27.13 0.12 1 1822 170 LEU HG H 1.65 0.03 1 1823 170 LEU HD1 H 0.89 0.03 2 1824 170 LEU HD2 H 0.94 0.03 2 1825 170 LEU CD1 C 23.33 0.12 1 1826 170 LEU CD2 C 24.93 0.12 1 1827 170 LEU C C 177.85 0.12 1 1828 171 GLY N N 109.17 0.15 1 1829 171 GLY H H 8.39 0.03 1 1830 171 GLY CA C 45.23 0.12 1 1831 171 GLY HA2 H 3.90 0.03 1 1832 171 GLY HA3 H 3.90 0.03 1 1833 171 GLY C C 174.05 0.12 1 1834 172 GLN N N 119.17 0.15 1 1835 172 GLN H H 8.10 0.03 1 1836 172 GLN CA C 55.73 0.12 1 1837 172 GLN HA H 4.26 0.03 1 1838 172 GLN CB C 29.43 0.12 1 1839 172 GLN HB2 H 1.90 0.03 2 1840 172 GLN HB3 H 1.96 0.03 2 1841 172 GLN CG C 33.63 0.12 1 1842 172 GLN HG2 H 2.18 0.03 1 1843 172 GLN HG3 H 2.18 0.03 1 1844 172 GLN CD C 180.33 0.12 1 1845 172 GLN NE2 N 112.70 0.15 1 1846 172 GLN HE21 H 6.86 0.03 2 1847 172 GLN HE22 H 7.46 0.03 2 1848 172 GLN C C 175.45 0.12 1 1849 173 PHE N N 120.47 0.15 1 1850 173 PHE H H 8.23 0.03 1 1851 173 PHE CA C 57.53 0.12 1 1852 173 PHE HA H 4.66 0.03 1 1853 173 PHE CB C 39.53 0.12 1 1854 173 PHE HB2 H 3.01 0.03 2 1855 173 PHE HB3 H 3.15 0.03 2 1856 173 PHE HD1 H 7.25 0.03 1 1857 173 PHE HD2 H 7.25 0.03 1 1858 173 PHE HE1 H 7.29 0.03 1 1859 173 PHE HE2 H 7.29 0.03 1 1860 173 PHE CD1 C 131.33 0.12 1 1861 173 PHE CE1 C 129.53 0.12 1 1862 173 PHE CZ C 131.33 0.12 1 1863 173 PHE HZ H 7.33 0.03 1 1864 173 PHE CE2 C 129.53 0.12 1 1865 173 PHE CD2 C 131.33 0.12 1 1866 173 PHE C C 175.25 0.12 1 1867 174 ARG N N 122.57 0.15 1 1868 174 ARG H H 8.14 0.03 1 1869 174 ARG CA C 55.63 0.12 1 1870 174 ARG HA H 4.37 0.03 1 1871 174 ARG CB C 31.13 0.12 1 1872 174 ARG HB2 H 1.71 0.03 2 1873 174 ARG HB3 H 1.79 0.03 2 1874 174 ARG CG C 26.93 0.12 1 1875 174 ARG HG2 H 1.56 0.03 1 1876 174 ARG HG3 H 1.56 0.03 1 1877 174 ARG CD C 43.43 0.12 1 1878 174 ARG HD2 H 3.18 0.03 1 1879 174 ARG HD3 H 3.18 0.03 1 1880 174 ARG C C 176.35 0.12 1 1881 175 VAL N N 121.47 0.15 1 1882 175 VAL H H 8.20 0.03 1 1883 175 VAL CA C 62.33 0.12 1 1884 175 VAL HA H 4.07 0.03 1 1885 175 VAL CB C 32.53 0.12 1 1886 175 VAL HB H 2.05 0.03 1 1887 175 VAL HG1 H 0.93 0.03 2 1888 175 VAL HG2 H 0.95 0.03 2 1889 175 VAL CG1 C 20.73 0.12 1 1890 175 VAL CG2 C 21.53 0.12 1 1891 175 VAL C C 175.95 0.12 1 1892 176 LYS N N 124.87 0.15 1 1893 176 LYS H H 8.38 0.03 1 1894 176 LYS CA C 56.13 0.12 1 1895 176 LYS HA H 4.29 0.03 1 1896 176 LYS CB C 32.73 0.12 1 1897 176 LYS HB2 H 1.76 0.03 1 1898 176 LYS HB3 H 1.76 0.03 1 1899 176 LYS CG C 24.53 0.12 1 1900 176 LYS HG2 H 1.41 0.03 1 1901 176 LYS HG3 H 1.41 0.03 1 1902 176 LYS CD C 28.93 0.12 1 1903 176 LYS HD2 H 1.70 0.03 1 1904 176 LYS HD3 H 1.70 0.03 1 1905 176 LYS CE C 42.03 0.12 1 1906 176 LYS HE2 H 3.00 0.03 1 1907 176 LYS HE3 H 3.00 0.03 1 1908 176 LYS C C 176.35 0.12 1 1909 177 GLU N N 122.47 0.15 1 1910 177 GLU H H 8.55 0.03 1 1911 177 GLU CA C 56.43 0.12 1 1912 177 GLU HA H 4.26 0.03 1 1913 177 GLU CB C 29.93 0.12 1 1914 177 GLU HB2 H 1.96 0.03 1 1915 177 GLU HB3 H 1.96 0.03 1 1916 177 GLU CG C 36.33 0.12 1 1917 177 GLU HG2 H 2.27 0.03 1 1918 177 GLU HG3 H 2.27 0.03 1 1919 177 GLU C C 176.45 0.12 1 1920 178 GLU N N 120.87 0.15 1 1921 178 GLU H H 8.43 0.03 1 1922 178 GLU CA C 56.33 0.12 1 1923 178 GLU HA H 4.29 0.03 1 1924 178 GLU CB C 29.93 0.12 1 1925 178 GLU HB2 H 1.96 0.03 1 1926 178 GLU HB3 H 1.96 0.03 1 1927 178 GLU CG C 36.13 0.12 1 1928 178 GLU HG2 H 2.27 0.03 1 1929 178 GLU HG3 H 2.27 0.03 1 1930 178 GLU C C 176.45 0.12 1 1931 179 GLU N N 121.37 0.15 1 1932 179 GLU H H 8.38 0.03 1 1933 179 GLU CA C 56.23 0.12 1 1934 179 GLU HA H 4.28 0.03 1 1935 179 GLU CB C 30.03 0.12 1 1936 179 GLU HB2 H 1.98 0.03 1 1937 179 GLU HB3 H 1.98 0.03 1 1938 179 GLU CG C 36.13 0.12 1 1939 179 GLU HG2 H 2.27 0.03 1 1940 179 GLU HG3 H 2.27 0.03 1 1941 179 GLU C C 176.45 0.12 1 1942 180 GLU N N 121.77 0.15 1 1943 180 GLU H H 8.45 0.03 1 1944 180 GLU CA C 56.33 0.12 1 1945 180 GLU HA H 4.29 0.03 1 1946 180 GLU CB C 29.93 0.12 1 1947 180 GLU HB2 H 1.99 0.03 1 1948 180 GLU HB3 H 1.99 0.03 1 1949 180 GLU CG C 36.43 0.12 1 1950 180 GLU HG2 H 2.27 0.03 1 1951 180 GLU HG3 H 2.27 0.03 1 1952 180 GLU C C 176.35 0.12 1 1953 181 SER N N 116.57 0.15 1 1954 181 SER H H 8.34 0.03 1 1955 181 SER CA C 58.03 0.12 1 1956 181 SER HA H 4.45 0.03 1 1957 181 SER CB C 63.63 0.12 1 1958 181 SER HB2 H 3.86 0.03 1 1959 181 SER HB3 H 3.86 0.03 1 1960 181 SER C C 173.95 0.12 1 1961 182 ALA N N 126.17 0.15 1 1962 182 ALA H H 8.35 0.03 1 1963 182 ALA CA C 52.33 0.12 1 1964 182 ALA HA H 4.38 0.03 1 1965 182 ALA HB H 1.40 0.03 1 1966 182 ALA CB C 19.23 0.12 1 1969 183 ASN H H 7.97 0.03 1 1971 183 ASN HA H 4.47 0.03 1 1973 183 ASN HB2 H 2.68 0.03 1 1974 183 ASN HB3 H 2.68 0.03 1 1975 183 ASN CG C 178.23 0.12 1 1976 183 ASN ND2 N 113.20 0.15 1 1977 183 ASN HD21 H 6.83 0.03 2 1978 183 ASN HD22 H 7.50 0.03 2 stop_ save_