data_6004 #Corrected using PDB structure: 1Q8XA # #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 # 38 F HA 5.97 4.85 # 39 C HA 5.73 4.75 # 57 V HA 3.44 4.18 # 80 C HA 4.51 3.79 # 86 D HA 4.90 5.85 # 91 T HA 5.33 4.15 #129 T HA 3.93 3.12 #132 K HA 4.31 3.48 #134 E HA 5.93 4.94 #153 L HA 3.63 5.39 #162 E HA 4.12 5.98 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 84 L CB 46.13 40.96 # 93 E CB 31.63 37.40 #128 L CB 37.03 42.09 #139 C CB 29.63 35.33 #162 E CB 26.23 32.75 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 51 E N 130.70 116.00 # 53 K N 122.90 112.30 # 57 V N 124.10 111.43 # 61 G N 116.70 106.61 # 93 E N 114.30 125.32 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.03 -0.09 -0.07 N/A 0.10 -0.04 # #bmr6004.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6004.str file): #HA CA CB CO N HN #N/A -0.08 -0.08 N/A +0.10 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.17 +/-0.18 N/A +/-0.37 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.686 0.940 0.988 N/A 0.701 0.507 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.188 1.089 1.129 N/A 2.264 0.365 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N assignments of human Cofilin ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zierler-Gould K. M. . 2 Pope B. J. . 3 Weeds A. G. . 4 Ball L. J. . stop_ _BMRB_accession_number 6004 _BMRB_flat_file_name bmr6004.str _Entry_type new _Submission_date 2003-11-14 _Accession_date 2003-11-14 _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' 974 '15N chemical shifts' 164 '13C chemical shifts' 534 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the editor: Backbone and sidechain 1H, 13C and 15N resonance assignments of human cofilin ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID 15213453 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zierler-Gould K. M. . 2 Pope B. J. . 3 Weeds A. G. . 4 Ball L. J. . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 29 _Journal_issue 3 _Page_first 429 _Page_last 430 _Year 2004 loop_ _Keyword "cofilin/ADF" "NMR" "chemical shift" "actin binding" "cytoskeleton" stop_ save_ ################################## # Molecular system description # ################################## save_system_cofilin _Saveframe_category molecular_system _Mol_system_name "Cofilin, non-muscle isoform" _Abbreviation_common cofilin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label cofilin $cofilin stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function ; F-actin and G-actin binding. Actin depolymerizing protein which modifies the twist of F-actin when bound. ; stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1Q8G ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_cofilin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cofilin _Name_variant . _Abbreviation_common cofilin _Mol_thiol_state 'all free' ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MASGVAVSDGVIKVFNDMKV RKSSTPEEVKKRKKAVLFCL SEDKKNIILEEGKEILVGDV GQTVDDPYATFVKMLPDKDC RYALYDATYETKESKKEDLV FIFWAPESAPLKSKMIYASS KDAIKKKLTGIKHELQANCY EEVKDRCTLAEKLGGSAVIS LEGKPL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 GLY 5 VAL 6 ALA 7 VAL 8 SER 9 ASP 10 GLY 11 VAL 12 ILE 13 LYS 14 VAL 15 PHE 16 ASN 17 ASP 18 MET 19 LYS 20 VAL 21 ARG 22 LYS 23 SER 24 SER 25 THR 26 PRO 27 GLU 28 GLU 29 VAL 30 LYS 31 LYS 32 ARG 33 LYS 34 LYS 35 ALA 36 VAL 37 LEU 38 PHE 39 CYS 40 LEU 41 SER 42 GLU 43 ASP 44 LYS 45 LYS 46 ASN 47 ILE 48 ILE 49 LEU 50 GLU 51 GLU 52 GLY 53 LYS 54 GLU 55 ILE 56 LEU 57 VAL 58 GLY 59 ASP 60 VAL 61 GLY 62 GLN 63 THR 64 VAL 65 ASP 66 ASP 67 PRO 68 TYR 69 ALA 70 THR 71 PHE 72 VAL 73 LYS 74 MET 75 LEU 76 PRO 77 ASP 78 LYS 79 ASP 80 CYS 81 ARG 82 TYR 83 ALA 84 LEU 85 TYR 86 ASP 87 ALA 88 THR 89 TYR 90 GLU 91 THR 92 LYS 93 GLU 94 SER 95 LYS 96 LYS 97 GLU 98 ASP 99 LEU 100 VAL 101 PHE 102 ILE 103 PHE 104 TRP 105 ALA 106 PRO 107 GLU 108 SER 109 ALA 110 PRO 111 LEU 112 LYS 113 SER 114 LYS 115 MET 116 ILE 117 TYR 118 ALA 119 SER 120 SER 121 LYS 122 ASP 123 ALA 124 ILE 125 LYS 126 LYS 127 LYS 128 LEU 129 THR 130 GLY 131 ILE 132 LYS 133 HIS 134 GLU 135 LEU 136 GLN 137 ALA 138 ASN 139 CYS 140 TYR 141 GLU 142 GLU 143 VAL 144 LYS 145 ASP 146 ARG 147 CYS 148 THR 149 LEU 150 ALA 151 GLU 152 LYS 153 LEU 154 GLY 155 GLY 156 SER 157 ALA 158 VAL 159 ILE 160 SER 161 LEU 162 GLU 163 GLY 164 LYS 165 PRO 166 LEU stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cofilin 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 $cofilin '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 _Isotopic_labeling $cofilin 0.8 mM "[U-15N; U-13C]" "phosphate buffer" 10 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cofilin 1 mM "[U-15N]" "phosphate buffer" 10 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 1.3 loop_ _Task "acquisition, processing" stop_ _Details "Bruker AG" save_ save_AZARA _Saveframe_category software _Name AZARA _Version 2.1 loop_ _Task "processing" "viewing" stop_ _Details "Boucher, W., unpublished" save_ save_ANSIG _Saveframe_category software _Name ANSIG _Version 3.3 loop_ _Task "assignment" "integration" "creation of NOE restraint lists" stop_ _Details ; Kraulis, P.J. (1989) J. Magn. Res. 24. 617-633. ; save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task "structure solution" "refinement" stop_ _Details ; Bruenger, A et al., (1998) ActA Cystallogr. D. 54. 905-921. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 3D 13C-separated NOESY-HSQC in H2O (aliphatic centred) 3D 13C-separated NOESY-HSQC in H2O (aromatic centred) 3D 15N-separated NOESY-HSQC 3D HNHA 3D HNHB 2D NOESY 2D TOCSY 2D DQF-COSY ; save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.2 n/a temperature 300 2 K 'ionic strength' 10 0.02 mM pressure 1 . atm 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_cofilin_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name cofilin 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 3 SER CA C 58.32 . 1 2 3 SER CB C 63.92 . 1 3 4 GLY N N 111.30 . 1 4 4 GLY H H 8.42 . 1 5 4 GLY CA C 44.92 . 1 6 4 GLY HA2 H 3.90 . 2 7 4 GLY HA3 H 4.01 . 2 8 5 VAL N N 120.40 . 1 9 5 VAL H H 7.79 . 1 10 5 VAL CA C 61.82 . 1 11 5 VAL HA H 4.05 . 1 12 5 VAL CB C 33.12 . 1 13 5 VAL HB H 1.73 . 1 14 5 VAL HG1 H 0.65 . 2 15 5 VAL HG2 H 0.77 . 2 16 5 VAL CG1 C 21.42 . 1 17 5 VAL CG2 C 20.82 . 1 18 6 ALA N N 128.20 . 1 19 6 ALA H H 8.01 . 1 20 6 ALA CA C 50.72 . 1 21 6 ALA HA H 4.59 . 1 22 6 ALA HB H 1.42 . 1 23 6 ALA CB C 20.82 . 1 24 7 VAL N N 120.70 . 1 25 7 VAL H H 8.63 . 1 26 7 VAL CA C 62.22 . 1 27 7 VAL HA H 3.97 . 1 28 7 VAL CB C 32.12 . 1 29 7 VAL HB H 1.84 . 1 30 7 VAL HG1 H 0.75 . 2 31 7 VAL HG2 H 0.69 . 2 32 7 VAL CG1 C 21.92 . 1 33 7 VAL CG2 C 21.52 . 1 34 8 SER N N 122.50 . 1 35 8 SER H H 8.16 . 1 36 8 SER CA C 59.02 . 1 37 8 SER HA H 4.38 . 1 39 8 SER HB2 H 4.36 . 2 40 8 SER HB3 H 4.06 . 2 41 9 ASP N N 122.70 . 1 42 9 ASP H H 8.97 . 1 43 9 ASP CA C 57.32 . 1 44 9 ASP HA H 4.38 . 1 45 9 ASP CB C 40.32 . 1 46 9 ASP HB2 H 2.66 . 1 47 9 ASP HB3 H 2.66 . 1 48 10 GLY N N 106.80 . 1 49 10 GLY H H 8.75 . 1 50 10 GLY CA C 47.12 . 1 51 10 GLY HA2 H 3.98 . 2 52 10 GLY HA3 H 3.88 . 2 53 11 VAL N N 122.10 . 1 54 11 VAL H H 7.23 . 1 55 11 VAL CA C 65.92 . 1 56 11 VAL HA H 3.40 . 1 57 11 VAL CB C 30.82 . 1 58 11 VAL HB H 1.99 . 1 59 11 VAL HG1 H 0.64 . 2 60 11 VAL HG2 H -0.08 . 2 61 11 VAL CG1 C 23.02 . 1 62 11 VAL CG2 C 19.62 . 1 63 12 ILE N N 118.80 . 1 64 12 ILE H H 7.02 . 1 65 12 ILE CA C 64.22 . 1 66 12 ILE HA H 3.51 . 1 67 12 ILE CB C 37.42 . 1 68 12 ILE HB H 2.02 . 1 69 12 ILE HG2 H 1.01 . 1 70 12 ILE CG2 C 17.72 . 1 71 12 ILE CG1 C 28.72 . 1 72 12 ILE HG12 H 1.12 . 1 73 12 ILE HG13 H 1.12 . 1 74 12 ILE HD1 H 0.76 . 1 75 12 ILE CD1 C 12.42 . 1 76 13 LYS N N 119.70 . 1 77 13 LYS H H 8.30 . 1 78 13 LYS CA C 59.82 . 1 79 13 LYS HA H 4.08 . 1 80 13 LYS CB C 32.52 . 1 81 13 LYS HB2 H 1.93 . 1 82 13 LYS HB3 H 1.93 . 1 83 13 LYS CG C 25.32 . 1 84 13 LYS HG2 H 1.55 . 2 85 13 LYS HG3 H 1.44 . 2 86 13 LYS HD2 H 1.70 . 1 87 13 LYS HD3 H 1.70 . 1 88 13 LYS HE2 H 2.93 . 1 89 13 LYS HE3 H 2.93 . 1 90 14 VAL N N 118.40 . 1 91 14 VAL H H 7.63 . 1 92 14 VAL CA C 66.02 . 1 93 14 VAL HA H 3.95 . 1 94 14 VAL CB C 31.42 . 1 95 14 VAL HB H 2.32 . 1 96 14 VAL HG1 H 1.25 . 2 97 14 VAL HG2 H 1.28 . 2 98 14 VAL CG1 C 22.42 . 1 99 14 VAL CG2 C 24.82 . 1 100 15 PHE N N 121.00 . 1 101 15 PHE H H 8.31 . 1 102 15 PHE CA C 60.82 . 1 103 15 PHE HA H 4.19 . 1 104 15 PHE CB C 39.02 . 1 105 15 PHE HB2 H 3.19 . 2 106 15 PHE HB3 H 3.09 . 2 107 15 PHE CD1 C 129.82 . 1 108 15 PHE HD1 H 7.22 . 1 109 15 PHE HE1 H 7.27 . 1 110 15 PHE HE2 H 7.27 . 1 111 15 PHE CD2 C 129.82 . 1 112 15 PHE HD2 H 7.22 . 1 113 16 ASN N N 117.90 . 1 114 16 ASN H H 8.58 . 1 115 16 ASN CA C 56.52 . 1 116 16 ASN HA H 3.94 . 1 117 16 ASN CB C 38.02 . 1 118 16 ASN HB2 H 2.92 . 2 119 16 ASN HB3 H 2.71 . 2 120 16 ASN ND2 N 112.30 . 1 121 16 ASN HD21 H 7.53 . 2 122 16 ASN HD22 H 6.99 . 2 123 17 ASP N N 119.70 . 1 124 17 ASP H H 8.18 . 1 125 17 ASP CA C 56.82 . 1 126 17 ASP HA H 4.46 . 1 127 17 ASP CB C 40.52 . 1 128 17 ASP HB2 H 2.92 . 2 129 17 ASP HB3 H 2.68 . 2 130 18 MET N N 119.50 . 1 131 18 MET H H 8.18 . 1 132 18 MET CA C 58.52 . 1 133 18 MET HA H 4.08 . 1 134 18 MET CB C 34.82 . 1 135 18 MET HB2 H 2.14 . 2 136 18 MET HB3 H 1.98 . 2 137 18 MET CG C 32.92 . 1 138 18 MET HG2 H 2.92 . 2 139 18 MET HG3 H 2.49 . 2 140 18 MET HE H 1.65 . 1 141 18 MET CE C 16.42 . 1 142 19 LYS N N 117.10 . 1 143 19 LYS H H 7.95 . 1 144 19 LYS CA C 58.12 . 1 145 19 LYS HA H 3.89 . 1 146 19 LYS CB C 32.22 . 1 147 19 LYS HB2 H 1.41 . 1 148 19 LYS HB3 H 1.41 . 1 149 19 LYS CG C 24.52 . 1 150 19 LYS HG2 H 1.13 . 2 151 19 LYS HG3 H 1.22 . 2 152 19 LYS HD2 H 1.48 . 1 153 19 LYS HD3 H 1.48 . 1 154 19 LYS CE C 41.92 . 1 155 19 LYS HE2 H 2.75 . 1 156 19 LYS HE3 H 2.75 . 1 157 20 VAL N N 117.60 . 1 158 20 VAL H H 7.25 . 1 159 20 VAL CA C 62.72 . 1 160 20 VAL HA H 3.96 . 1 161 20 VAL CB C 32.32 . 1 162 20 VAL HB H 2.08 . 1 163 20 VAL HG1 H 0.90 . 2 164 20 VAL HG2 H 0.99 . 2 165 20 VAL CG1 C 21.22 . 1 166 20 VAL CG2 C 21.22 . 1 167 21 ARG N N 122.90 . 1 168 21 ARG H H 8.08 . 1 169 21 ARG CA C 55.82 . 1 170 21 ARG HA H 4.11 . 1 171 21 ARG CB C 29.22 . 1 172 21 ARG HB2 H 1.66 . 2 173 21 ARG HB3 H 1.75 . 2 174 21 ARG HG2 H 1.52 . 1 175 21 ARG HG3 H 1.52 . 1 176 21 ARG HD2 H 3.11 . 1 177 21 ARG HD3 H 3.11 . 1 178 22 LYS N N 122.70 . 1 179 22 LYS H H 8.37 . 1 180 22 LYS CA C 56.72 . 1 181 22 LYS HA H 4.27 . 1 182 22 LYS CB C 33.02 . 1 183 22 LYS HB2 H 1.67 . 2 184 22 LYS HB3 H 1.78 . 2 185 22 LYS CG C 24.52 . 1 186 22 LYS HG2 H 1.37 . 1 187 22 LYS HG3 H 1.37 . 1 188 22 LYS HD2 H 0.91 . 1 189 22 LYS HD3 H 0.91 . 1 190 22 LYS HE2 H 2.94 . 1 191 22 LYS HE3 H 2.94 . 1 192 23 SER N N 117.70 . 1 193 23 SER H H 8.44 . 1 194 23 SER CA C 57.92 . 1 195 23 SER HA H 4.51 . 1 196 23 SER CB C 63.82 . 1 197 23 SER HB2 H 3.79 . 1 198 23 SER HB3 H 3.79 . 1 200 24 SER H H 8.62 . 1 201 24 SER CA C 59.22 . 1 202 24 SER HA H 4.53 . 1 203 24 SER CB C 64.52 . 1 204 24 SER HB2 H 3.89 . 1 205 24 SER HB3 H 3.89 . 1 206 25 THR N N 113.40 . 1 207 25 THR H H 7.92 . 1 208 25 THR CA C 59.22 . 1 209 25 THR HA H 4.80 . 1 210 25 THR CB C 69.32 . 1 211 25 THR HB H 4.58 . 1 212 25 THR HG2 H 1.25 . 1 213 25 THR CG2 C 21.82 . 1 214 26 PRO CD C 50.42 . 1 215 26 PRO CA C 65.42 . 1 216 26 PRO HA H 4.22 . 1 217 26 PRO CB C 31.82 . 1 218 26 PRO HB2 H 1.93 . 2 219 26 PRO HB3 H 2.37 . 2 220 26 PRO CG C 27.92 . 1 221 26 PRO HG2 H 2.21 . 2 222 26 PRO HG3 H 2.01 . 2 223 26 PRO HD2 H 3.91 . 1 224 26 PRO HD3 H 3.91 . 1 225 27 GLU N N 116.50 . 1 226 27 GLU H H 8.44 . 1 227 27 GLU CA C 59.52 . 1 228 27 GLU HA H 3.97 . 1 229 27 GLU CB C 29.12 . 1 230 27 GLU HB2 H 1.99 . 2 231 27 GLU HB3 H 1.92 . 2 232 27 GLU CG C 36.52 . 1 233 27 GLU HG2 H 2.35 . 2 234 27 GLU HG3 H 2.26 . 2 235 28 GLU N N 118.80 . 1 236 28 GLU H H 7.61 . 1 237 28 GLU CA C 58.52 . 1 238 28 GLU HA H 3.96 . 1 239 28 GLU CB C 30.02 . 1 240 28 GLU HB2 H 2.13 . 2 241 28 GLU HB3 H 2.01 . 2 242 28 GLU CG C 37.22 . 1 243 28 GLU HG2 H 2.32 . 2 244 28 GLU HG3 H 2.21 . 2 245 29 VAL N N 120.40 . 1 246 29 VAL H H 7.91 . 1 247 29 VAL CA C 66.42 . 1 248 29 VAL HA H 3.51 . 1 249 29 VAL CB C 31.62 . 1 250 29 VAL HB H 2.10 . 1 251 29 VAL HG1 H 0.97 . 2 252 29 VAL HG2 H 0.87 . 2 253 29 VAL CG1 C 22.72 . 1 254 29 VAL CG2 C 21.22 . 1 255 30 LYS N N 114.80 . 1 256 30 LYS H H 7.42 . 1 257 30 LYS CA C 58.82 . 1 258 30 LYS HA H 3.74 . 1 259 30 LYS CB C 32.92 . 1 260 30 LYS HB2 H 1.84 . 1 261 30 LYS HB3 H 1.84 . 1 262 30 LYS CG C 25.72 . 1 263 30 LYS HG2 H 1.42 . 1 264 30 LYS HG3 H 1.42 . 1 265 30 LYS HD2 H 1.64 . 1 266 30 LYS HD3 H 1.64 . 1 267 31 LYS N N 115.60 . 1 268 31 LYS H H 7.25 . 1 269 31 LYS CA C 55.92 . 1 270 31 LYS HA H 4.28 . 1 271 31 LYS CB C 32.92 . 1 272 31 LYS HB2 H 1.77 . 2 273 31 LYS HB3 H 1.96 . 2 274 31 LYS CG C 25.22 . 1 275 31 LYS HG2 H 1.46 . 2 276 31 LYS HG3 H 1.52 . 2 277 31 LYS CD C 28.52 . 1 278 31 LYS HD2 H 1.63 . 1 279 31 LYS HD3 H 1.63 . 1 280 31 LYS HE2 H 2.94 . 1 281 31 LYS HE3 H 2.94 . 1 282 32 ARG N N 121.60 . 1 283 32 ARG H H 7.49 . 1 284 32 ARG CA C 57.02 . 1 285 32 ARG HA H 4.12 . 1 286 32 ARG CB C 30.82 . 1 287 32 ARG HB2 H 1.93 . 2 288 32 ARG HB3 H 1.87 . 2 289 32 ARG CG C 28.02 . 1 290 32 ARG HG2 H 1.93 . 2 291 32 ARG HG3 H 1.70 . 2 292 32 ARG CD C 43.92 . 1 293 32 ARG HD2 H 3.32 . 2 294 32 ARG HD3 H 3.13 . 2 295 32 ARG NE N 84.10 . 1 296 32 ARG HE H 7.64 . 1 297 33 LYS N N 120.80 . 1 298 33 LYS H H 8.77 . 1 299 33 LYS CA C 56.92 . 1 300 33 LYS HA H 4.37 . 1 301 33 LYS CB C 32.52 . 1 302 33 LYS HB2 H 1.55 . 2 303 33 LYS HB3 H 1.92 . 2 304 33 LYS CG C 25.32 . 1 305 33 LYS HG2 H 1.48 . 1 306 33 LYS HG3 H 1.48 . 1 307 33 LYS HE2 H 2.92 . 1 308 33 LYS HE3 H 2.92 . 1 309 34 LYS N N 124.40 . 1 310 34 LYS H H 9.56 . 1 311 34 LYS CA C 55.32 . 1 312 34 LYS HA H 4.35 . 1 313 34 LYS CB C 34.72 . 1 314 34 LYS HB2 H 1.46 . 2 315 34 LYS HB3 H 1.29 . 2 316 34 LYS HG2 H 0.97 . 1 317 34 LYS HG3 H 0.97 . 1 318 35 ALA N N 116.70 . 1 319 35 ALA H H 7.66 . 1 320 35 ALA CA C 51.02 . 1 321 35 ALA HA H 5.12 . 1 322 35 ALA HB H 1.22 . 1 323 35 ALA CB C 23.32 . 1 324 36 VAL N N 114.20 . 1 325 36 VAL H H 8.46 . 1 326 36 VAL CA C 60.52 . 1 327 36 VAL HA H 4.88 . 1 328 36 VAL CB C 35.82 . 1 329 36 VAL HB H 2.12 . 1 330 36 VAL HG1 H 0.85 . 2 331 36 VAL HG2 H 0.99 . 2 332 36 VAL CG1 C 21.02 . 1 333 36 VAL CG2 C 22.62 . 1 334 37 LEU N N 122.10 . 1 335 37 LEU H H 7.87 . 1 336 37 LEU CA C 54.42 . 1 337 37 LEU HA H 4.99 . 1 338 37 LEU CB C 45.22 . 1 339 37 LEU HB2 H 1.74 . 2 340 37 LEU HB3 H 2.09 . 2 341 37 LEU CG C 29.62 . 1 342 37 LEU HG H 1.51 . 1 343 37 LEU HD1 H 0.82 . 1 344 37 LEU HD2 H 0.82 . 1 345 37 LEU CD1 C 26.12 . 1 346 37 LEU CD2 C 26.12 . 1 347 38 PHE N N 117.90 . 1 348 38 PHE H H 9.22 . 1 349 38 PHE CA C 53.42 . 1 350 38 PHE HA H 5.94 . 1 351 38 PHE CB C 41.62 . 1 352 38 PHE HB2 H 3.41 . 2 353 38 PHE HB3 H 3.05 . 2 354 38 PHE CD1 C 130.82 . 1 355 38 PHE HD1 H 7.13 . 1 356 38 PHE HE1 H 7.06 . 1 357 38 PHE HZ H 6.27 . 1 358 38 PHE HE2 H 7.06 . 1 359 38 PHE CD2 C 130.82 . 1 360 38 PHE HD2 H 7.13 . 1 361 39 CYS N N 116.50 . 1 362 39 CYS H H 9.49 . 1 363 39 CYS CA C 54.52 . 1 364 39 CYS HA H 5.70 . 1 365 39 CYS CB C 32.72 . 1 366 39 CYS HB2 H 3.47 . 2 367 39 CYS HB3 H 2.52 . 2 368 40 LEU N N 118.70 . 1 369 40 LEU H H 7.88 . 1 370 40 LEU CA C 54.12 . 1 371 40 LEU HA H 5.05 . 1 372 40 LEU CB C 43.92 . 1 373 40 LEU HB2 H 1.52 . 1 374 40 LEU HB3 H 1.52 . 1 375 40 LEU CG C 26.02 . 1 376 40 LEU HG H 0.47 . 1 377 40 LEU HD1 H 0.49 . 1 378 40 LEU HD2 H 0.49 . 1 379 40 LEU CD1 C 23.92 . 1 380 40 LEU CD2 C 23.92 . 1 381 41 SER N N 117.30 . 1 382 41 SER H H 9.06 . 1 383 41 SER CA C 58.12 . 1 384 41 SER HA H 4.32 . 1 385 41 SER CB C 64.32 . 1 386 41 SER HB2 H 4.56 . 2 387 41 SER HB3 H 3.96 . 2 388 41 SER HG H 5.70 . 1 389 42 GLU N N 124.70 . 1 390 42 GLU H H 9.24 . 1 391 42 GLU CA C 60.02 . 1 392 42 GLU HA H 4.08 . 1 393 42 GLU CB C 29.22 . 1 394 42 GLU HB2 H 2.14 . 2 395 42 GLU HB3 H 2.09 . 2 396 42 GLU CG C 36.32 . 1 397 42 GLU HG2 H 2.38 . 1 398 42 GLU HG3 H 2.38 . 1 399 43 ASP N N 115.00 . 1 400 43 ASP H H 8.19 . 1 401 43 ASP CA C 53.32 . 1 402 43 ASP HA H 4.41 . 1 403 43 ASP CB C 39.62 . 1 404 43 ASP HB2 H 2.65 . 2 405 43 ASP HB3 H 3.02 . 2 406 44 LYS N N 112.80 . 1 407 44 LYS H H 8.13 . 1 408 44 LYS CA C 57.52 . 1 409 44 LYS HA H 3.66 . 1 410 44 LYS CB C 29.02 . 1 411 44 LYS HB2 H 2.16 . 2 412 44 LYS HB3 H 1.98 . 2 413 44 LYS CG C 25.22 . 1 414 44 LYS HG2 H 1.35 . 2 415 44 LYS HG3 H 1.47 . 2 416 44 LYS HD2 H 1.74 . 1 417 44 LYS HD3 H 1.74 . 1 418 45 LYS N N 113.90 . 1 419 45 LYS H H 7.70 . 1 420 45 LYS CA C 56.62 . 1 421 45 LYS HA H 4.37 . 1 422 45 LYS CB C 33.62 . 1 423 45 LYS HB2 H 1.86 . 2 424 45 LYS HB3 H 1.65 . 2 425 45 LYS CG C 24.82 . 1 426 45 LYS HG2 H 1.33 . 2 427 45 LYS HG3 H 1.23 . 2 428 46 ASN N N 116.50 . 1 429 46 ASN H H 7.90 . 1 430 46 ASN CA C 51.72 . 1 431 46 ASN HA H 5.73 . 1 432 46 ASN CB C 43.62 . 1 433 46 ASN HB2 H 2.34 . 2 434 46 ASN HB3 H 2.51 . 2 435 46 ASN ND2 N 114.80 . 1 436 46 ASN HD21 H 7.16 . 2 437 46 ASN HD22 H 6.93 . 2 438 47 ILE N N 121.80 . 1 439 47 ILE H H 8.74 . 1 440 47 ILE CA C 60.42 . 1 441 47 ILE CB C 38.32 . 1 442 47 ILE HB H 1.69 . 1 443 47 ILE HG2 H 0.94 . 1 444 47 ILE CG2 C 18.32 . 1 445 47 ILE CG1 C 27.72 . 1 446 47 ILE HG12 H 1.01 . 1 447 47 ILE HG13 H 1.01 . 1 448 47 ILE HD1 H 0.66 . 1 449 47 ILE CD1 C 13.32 . 1 450 48 ILE N N 122.20 . 1 451 48 ILE H H 9.34 . 1 452 48 ILE CA C 59.82 . 1 453 48 ILE HA H 4.68 . 1 454 48 ILE CB C 43.02 . 1 455 48 ILE HB H 2.12 . 1 456 48 ILE HG2 H 0.91 . 1 457 48 ILE CG2 C 18.72 . 1 458 48 ILE CG1 C 25.92 . 1 459 48 ILE HG12 H 1.38 . 1 460 48 ILE HG13 H 1.38 . 1 461 48 ILE HD1 H 0.81 . 1 462 48 ILE CD1 C 13.92 . 1 463 49 LEU N N 121.30 . 1 464 49 LEU H H 8.35 . 1 465 49 LEU CA C 55.72 . 1 466 49 LEU HA H 4.58 . 1 467 49 LEU CB C 42.82 . 1 468 49 LEU HB2 H 1.66 . 2 469 49 LEU HB3 H 1.57 . 2 470 49 LEU CG C 27.62 . 1 471 49 LEU HG H 1.65 . 1 472 49 LEU HD1 H 1.06 . 1 473 49 LEU HD2 H 1.06 . 1 474 49 LEU CD1 C 25.22 . 1 475 49 LEU CD2 C 25.22 . 1 476 50 GLU N N 126.70 . 1 477 50 GLU H H 8.56 . 1 478 50 GLU CA C 55.72 . 1 479 50 GLU HA H 4.38 . 1 481 50 GLU HB2 H 1.46 . 1 482 50 GLU HB3 H 1.46 . 1 483 50 GLU CG C 36.82 . 1 484 50 GLU HG2 H 2.28 . 2 485 50 GLU HG3 H 2.08 . 2 486 51 GLU N N 130.70 . 1 487 51 GLU H H 8.45 . 1 488 51 GLU CA C 58.52 . 1 489 51 GLU HA H 3.98 . 1 490 51 GLU CB C 29.62 . 1 491 51 GLU HB2 H 2.00 . 1 492 51 GLU HB3 H 2.00 . 1 493 51 GLU CG C 36.02 . 1 494 51 GLU HG2 H 2.25 . 2 495 51 GLU HG3 H 2.30 . 2 496 52 GLY N N 113.00 . 1 497 52 GLY H H 9.15 . 1 498 52 GLY CA C 45.32 . 1 499 52 GLY HA2 H 3.83 . 2 500 52 GLY HA3 H 4.27 . 2 501 53 LYS N N 122.90 . 1 502 53 LYS H H 7.58 . 1 503 53 LYS CA C 53.12 . 1 504 53 LYS HA H 4.72 . 1 505 53 LYS CB C 30.62 . 1 506 53 LYS HB2 H 1.97 . 2 507 53 LYS HB3 H 1.70 . 2 508 53 LYS CG C 23.52 . 1 509 53 LYS HG2 H 1.42 . 2 510 53 LYS HG3 H 1.20 . 2 511 53 LYS HD2 H 1.62 . 1 512 53 LYS HD3 H 1.62 . 1 513 53 LYS CE C 38.52 . 1 514 53 LYS HE2 H 2.94 . 1 515 53 LYS HE3 H 2.94 . 1 516 54 GLU N N 115.80 . 1 517 54 GLU H H 7.47 . 1 518 54 GLU CA C 53.42 . 1 519 54 GLU HA H 5.12 . 1 520 54 GLU CB C 32.72 . 1 521 54 GLU HB2 H 2.04 . 2 522 54 GLU HB3 H 2.16 . 2 523 54 GLU CG C 33.32 . 1 524 54 GLU HG2 H 1.88 . 1 525 54 GLU HG3 H 1.88 . 1 526 55 ILE N N 118.90 . 1 527 55 ILE H H 8.51 . 1 528 55 ILE CA C 60.22 . 1 529 55 ILE HA H 4.40 . 1 530 55 ILE CB C 41.92 . 1 531 55 ILE HB H 1.46 . 1 532 55 ILE HG2 H 0.97 . 1 533 55 ILE CG2 C 16.82 . 1 534 55 ILE CG1 C 26.82 . 1 535 55 ILE HG12 H 1.14 . 1 536 55 ILE HG13 H 1.14 . 1 537 55 ILE HD1 H 0.92 . 1 538 55 ILE CD1 C 15.42 . 1 539 56 LEU N N 129.60 . 1 540 56 LEU H H 9.46 . 1 541 56 LEU CA C 53.42 . 1 542 56 LEU HA H 5.01 . 1 544 56 LEU HB2 H 1.71 . 1 545 56 LEU HB3 H 1.71 . 1 546 56 LEU CG C 27.22 . 1 547 56 LEU HG H 1.70 . 1 548 56 LEU HD1 H 0.93 . 2 549 56 LEU HD2 H 0.75 . 2 550 56 LEU CD1 C 25.62 . 1 551 56 LEU CD2 C 23.12 . 1 552 57 VAL N N 124.10 . 1 553 57 VAL H H 9.18 . 1 554 57 VAL CA C 67.32 . 1 555 57 VAL HA H 3.41 . 1 556 57 VAL CB C 31.22 . 1 557 57 VAL HB H 2.23 . 1 558 57 VAL HG1 H 0.85 . 2 559 57 VAL HG2 H 0.80 . 2 560 57 VAL CG1 C 24.52 . 1 561 57 VAL CG2 C 21.32 . 1 562 58 GLY N N 104.50 . 1 563 58 GLY H H 8.67 . 1 564 58 GLY CA C 46.12 . 1 565 58 GLY HA2 H 3.99 . 2 566 58 GLY HA3 H 3.87 . 2 567 59 ASP N N 117.50 . 1 568 59 ASP H H 7.66 . 1 569 59 ASP CA C 55.82 . 1 570 59 ASP HA H 4.72 . 1 572 59 ASP HB2 H 2.82 . 1 573 59 ASP HB3 H 2.82 . 1 574 60 VAL N N 123.60 . 1 575 60 VAL H H 7.73 . 1 576 60 VAL CA C 64.72 . 1 577 60 VAL HA H 4.07 . 1 578 60 VAL CB C 30.62 . 1 579 60 VAL HB H 2.37 . 1 580 60 VAL HG1 H 0.99 . 1 581 60 VAL HG2 H 0.99 . 1 582 60 VAL CG1 C 21.62 . 1 583 60 VAL CG2 C 21.62 . 1 584 61 GLY N N 116.70 . 1 585 61 GLY H H 8.91 . 1 586 61 GLY CA C 45.32 . 1 587 61 GLY HA2 H 3.85 . 2 588 61 GLY HA3 H 4.33 . 2 589 62 GLN N N 119.60 . 1 590 62 GLN H H 7.89 . 1 591 62 GLN CA C 56.22 . 1 592 62 GLN HA H 4.58 . 1 593 62 GLN CB C 29.62 . 1 594 62 GLN HB2 H 2.26 . 2 595 62 GLN HB3 H 2.04 . 2 596 62 GLN CG C 33.62 . 1 597 62 GLN HG2 H 2.31 . 2 598 62 GLN HG3 H 2.47 . 2 599 62 GLN NE2 N 112.50 . 1 600 62 GLN HE21 H 7.51 . 2 601 62 GLN HE22 H 6.79 . 2 602 63 THR N N 108.90 . 1 603 63 THR H H 7.92 . 1 604 63 THR CA C 61.82 . 1 605 63 THR HA H 4.43 . 1 606 63 THR CB C 69.72 . 1 607 63 THR HB H 4.34 . 1 608 63 THR HG2 H 1.25 . 1 609 63 THR CG2 C 22.32 . 1 610 64 VAL N N 122.00 . 1 611 64 VAL H H 7.75 . 1 612 64 VAL CA C 61.42 . 1 613 64 VAL HA H 4.24 . 1 614 64 VAL CB C 33.62 . 1 615 64 VAL HB H 1.82 . 1 616 64 VAL HG1 H 0.87 . 2 617 64 VAL HG2 H 0.99 . 2 618 64 VAL CG1 C 20.92 . 1 619 64 VAL CG2 C 21.22 . 1 621 65 ASP H H 8.43 . 1 622 65 ASP CA C 55.12 . 1 623 65 ASP HA H 4.65 . 1 624 65 ASP CB C 41.42 . 1 625 65 ASP HB2 H 2.62 . 1 626 65 ASP HB3 H 2.62 . 1 627 66 ASP N N 118.10 . 1 628 66 ASP H H 8.39 . 1 629 66 ASP CA C 50.52 . 1 630 66 ASP HA H 5.14 . 1 631 66 ASP CB C 41.72 . 1 632 66 ASP HB2 H 2.56 . 2 633 66 ASP HB3 H 3.06 . 2 634 67 PRO CD C 50.92 . 1 635 67 PRO CA C 64.92 . 1 636 67 PRO HA H 4.13 . 1 637 67 PRO CB C 31.42 . 1 638 67 PRO HB2 H 2.09 . 1 639 67 PRO HB3 H 2.09 . 1 640 67 PRO CG C 27.22 . 1 641 67 PRO HG2 H 2.36 . 2 642 67 PRO HG3 H 2.13 . 2 643 67 PRO HD2 H 4.27 . 2 644 67 PRO HD3 H 3.75 . 2 645 68 TYR N N 120.70 . 1 646 68 TYR H H 8.04 . 1 647 68 TYR CA C 62.82 . 1 648 68 TYR HA H 4.15 . 1 649 68 TYR CB C 38.12 . 1 650 68 TYR HB2 H 3.00 . 2 651 68 TYR HB3 H 2.92 . 2 652 68 TYR CD1 C 131.82 . 1 653 68 TYR HD1 H 6.32 . 1 654 68 TYR CE1 C 118.12 . 1 655 68 TYR HE1 H 6.23 . 1 656 68 TYR CE2 C 118.12 . 1 657 68 TYR HE2 H 6.23 . 1 658 68 TYR CD2 C 131.82 . 1 659 68 TYR HD2 H 6.32 . 1 660 68 TYR HH H 8.48 . 1 661 69 ALA N N 120.80 . 1 662 69 ALA H H 7.56 . 1 663 69 ALA CA C 54.42 . 1 664 69 ALA HA H 3.90 . 1 665 69 ALA HB H 1.42 . 1 666 69 ALA CB C 18.62 . 1 667 70 THR N N 114.60 . 1 668 70 THR H H 7.95 . 1 669 70 THR CA C 67.32 . 1 670 70 THR HA H 3.70 . 1 671 70 THR CB C 68.52 . 1 672 70 THR HB H 4.07 . 1 673 70 THR HG2 H 1.23 . 1 674 70 THR CG2 C 21.62 . 1 675 71 PHE N N 123.90 . 1 676 71 PHE H H 8.00 . 1 677 71 PHE CA C 60.42 . 1 678 71 PHE HA H 4.09 . 1 679 71 PHE CB C 38.32 . 1 680 71 PHE HB2 H 3.16 . 2 681 71 PHE HB3 H 3.04 . 2 682 71 PHE CD1 C 132.32 . 1 683 71 PHE HD1 H 6.58 . 1 684 71 PHE CE1 C 129.52 . 1 685 71 PHE HE1 H 6.70 . 1 686 71 PHE CZ C 128.32 . 1 687 71 PHE HZ H 6.66 . 1 688 71 PHE CE2 C 129.52 . 1 689 71 PHE HE2 H 6.70 . 1 690 71 PHE CD2 C 132.32 . 1 691 71 PHE HD2 H 6.58 . 1 692 72 VAL N N 117.40 . 1 693 72 VAL H H 7.71 . 1 694 72 VAL CA C 65.72 . 1 695 72 VAL HA H 2.53 . 1 696 72 VAL CB C 30.92 . 1 697 72 VAL HB H 1.69 . 1 698 72 VAL HG1 H 0.46 . 1 699 72 VAL HG2 H 0.46 . 1 700 72 VAL CG1 C 22.62 . 1 701 72 VAL CG2 C 22.62 . 1 702 73 LYS N N 116.80 . 1 703 73 LYS H H 7.08 . 1 704 73 LYS CA C 57.82 . 1 705 73 LYS HA H 3.87 . 1 706 73 LYS CB C 32.42 . 1 707 73 LYS HB2 H 1.82 . 2 708 73 LYS HB3 H 1.72 . 2 709 73 LYS CG C 25.72 . 1 710 73 LYS HG2 H 1.37 . 2 711 73 LYS HG3 H 1.54 . 2 712 73 LYS HD2 H 1.42 . 2 713 73 LYS HD3 H 1.23 . 2 714 73 LYS HE2 H 2.88 . 1 715 73 LYS HE3 H 2.88 . 1 717 74 MET H H 7.47 . 1 718 74 MET CA C 56.82 . 1 719 74 MET HA H 4.04 . 1 720 74 MET CB C 34.12 . 1 721 74 MET HB2 H 1.86 . 2 722 74 MET HB3 H 2.10 . 2 723 74 MET CG C 32.02 . 1 724 74 MET HG2 H 2.71 . 2 725 74 MET HG3 H 2.43 . 2 726 74 MET HE H 1.88 . 1 727 74 MET CE C 16.52 . 1 728 75 LEU N N 120.20 . 1 729 75 LEU H H 6.77 . 1 730 75 LEU CA C 52.22 . 1 731 75 LEU HA H 3.73 . 1 732 75 LEU CB C 37.72 . 1 733 75 LEU HB2 H 0.80 . 2 734 75 LEU HB3 H -0.88 . 2 735 75 LEU CG C 24.22 . 1 736 75 LEU HG H -0.47 . 1 737 75 LEU HD1 H -0.06 . 1 738 75 LEU HD2 H -0.06 . 1 739 75 LEU CD1 C 20.72 . 1 740 75 LEU CD2 C 20.72 . 1 741 76 PRO CD C 50.52 . 1 742 76 PRO CA C 62.32 . 1 743 76 PRO HA H 4.51 . 1 744 76 PRO CB C 31.72 . 1 745 76 PRO HB2 H 2.27 . 2 746 76 PRO HB3 H 2.07 . 2 747 76 PRO CG C 26.52 . 1 748 76 PRO HG2 H 2.34 . 2 749 76 PRO HG3 H 1.81 . 2 750 76 PRO HD2 H 3.85 . 2 751 76 PRO HD3 H 3.32 . 2 752 77 ASP N N 120.40 . 1 753 77 ASP H H 8.57 . 1 754 77 ASP CA C 56.52 . 1 755 77 ASP HA H 4.54 . 1 756 77 ASP CB C 41.02 . 1 757 77 ASP HB2 H 2.80 . 2 758 77 ASP HB3 H 2.84 . 2 759 78 LYS N N 113.90 . 1 760 78 LYS H H 7.91 . 1 761 78 LYS CA C 54.42 . 1 762 78 LYS HA H 4.27 . 1 763 78 LYS CB C 32.72 . 1 764 78 LYS HB2 H 2.00 . 2 765 78 LYS HB3 H 1.56 . 2 766 78 LYS CG C 24.82 . 1 767 78 LYS HG2 H 1.30 . 2 768 78 LYS HG3 H 1.19 . 2 769 78 LYS CD C 29.62 . 1 770 78 LYS HD2 H 1.37 . 2 771 78 LYS HD3 H 1.48 . 2 772 78 LYS HE2 H 2.98 . 2 773 78 LYS HE3 H 2.93 . 2 774 79 ASP N N 115.30 . 1 775 79 ASP H H 7.22 . 1 776 79 ASP CA C 52.72 . 1 777 79 ASP HA H 4.92 . 1 778 79 ASP CB C 44.02 . 1 779 79 ASP HB2 H 2.63 . 2 780 79 ASP HB3 H 2.33 . 2 781 80 CYS N N 115.30 . 1 782 80 CYS H H 7.51 . 1 783 80 CYS CA C 56.82 . 1 784 80 CYS HA H 4.48 . 1 785 80 CYS CB C 28.82 . 1 786 80 CYS HB2 H 1.30 . 2 787 80 CYS HB3 H 2.28 . 2 788 81 ARG N N 116.30 . 1 789 81 ARG H H 9.06 . 1 790 81 ARG CA C 54.02 . 1 791 81 ARG HA H 4.67 . 1 792 81 ARG CB C 38.02 . 1 793 81 ARG HB2 H 1.67 . 2 794 81 ARG HB3 H 2.25 . 2 795 81 ARG HG2 H 1.43 . 1 796 81 ARG HG3 H 1.43 . 1 797 81 ARG HD2 H 3.06 . 1 798 81 ARG HD3 H 3.06 . 1 799 82 TYR N N 116.00 . 1 800 82 TYR H H 8.00 . 1 801 82 TYR CA C 54.92 . 1 802 82 TYR HA H 5.92 . 1 803 82 TYR CB C 41.72 . 1 804 82 TYR HB2 H 2.98 . 2 805 82 TYR HB3 H 3.40 . 2 806 82 TYR CD1 C 132.52 . 1 807 82 TYR HD1 H 7.05 . 1 808 82 TYR CE1 C 118.22 . 1 809 82 TYR HE1 H 6.27 . 1 810 82 TYR CE2 C 118.22 . 1 811 82 TYR HE2 H 6.27 . 1 812 82 TYR CD2 C 132.52 . 1 813 82 TYR HD2 H 7.05 . 1 814 82 TYR HH H 9.10 . 1 815 83 ALA N N 121.90 . 1 816 83 ALA H H 9.10 . 1 817 83 ALA CA C 51.22 . 1 818 83 ALA HA H 5.06 . 1 819 83 ALA HB H 1.52 . 1 820 83 ALA CB C 24.22 . 1 821 84 LEU N N 117.70 . 1 822 84 LEU H H 8.06 . 1 823 84 LEU CA C 53.32 . 1 824 84 LEU HA H 5.41 . 1 825 84 LEU CB C 46.12 . 1 826 84 LEU HB2 H 1.41 . 2 827 84 LEU HB3 H 1.64 . 2 828 84 LEU CG C 27.22 . 1 829 84 LEU HG H 1.83 . 1 830 84 LEU HD1 H 1.27 . 1 831 84 LEU HD2 H 1.27 . 1 832 84 LEU CD1 C 25.02 . 1 833 84 LEU CD2 C 25.02 . 1 834 85 TYR N N 123.50 . 1 835 85 TYR H H 8.74 . 1 836 85 TYR CA C 57.22 . 1 837 85 TYR HA H 4.45 . 1 838 85 TYR CB C 42.62 . 1 839 85 TYR HB2 H 1.83 . 2 840 85 TYR HB3 H 2.59 . 2 841 85 TYR CD1 C 131.92 . 1 842 85 TYR HD1 H 6.27 . 1 843 85 TYR CE1 C 117.62 . 1 844 85 TYR HE1 H 6.46 . 1 845 85 TYR CE2 C 117.62 . 1 846 85 TYR HE2 H 6.46 . 1 847 85 TYR CD2 C 131.92 . 1 848 85 TYR HD2 H 6.27 . 1 849 85 TYR HH H 9.22 . 1 850 86 ASP N N 129.10 . 1 851 86 ASP H H 8.09 . 1 852 86 ASP CA C 52.62 . 1 853 86 ASP HA H 4.87 . 1 854 86 ASP CB C 40.52 . 1 855 86 ASP HB2 H 1.97 . 2 856 86 ASP HB3 H 2.92 . 2 857 87 ALA N N 128.40 . 1 858 87 ALA H H 8.83 . 1 859 87 ALA CA C 51.52 . 1 860 87 ALA HA H 4.77 . 1 861 87 ALA HB H 1.40 . 1 862 87 ALA CB C 20.82 . 1 863 88 THR N N 119.50 . 1 864 88 THR H H 8.33 . 1 865 88 THR CA C 61.92 . 1 866 88 THR HA H 5.06 . 1 867 88 THR CB C 70.02 . 1 868 88 THR HB H 4.13 . 1 869 88 THR HG2 H 1.19 . 1 870 88 THR CG2 C 22.22 . 1 871 89 TYR N N 124.50 . 1 872 89 TYR H H 9.05 . 1 873 89 TYR CA C 56.02 . 1 874 89 TYR HA H 5.41 . 1 875 89 TYR CB C 39.12 . 1 876 89 TYR HB2 H 3.03 . 2 877 89 TYR HB3 H 3.29 . 2 878 89 TYR CD1 C 133.92 . 1 879 89 TYR HD1 H 6.73 . 1 880 89 TYR CE1 C 118.12 . 1 881 89 TYR HE1 H 6.50 . 1 882 89 TYR CE2 C 118.12 . 1 883 89 TYR HE2 H 6.50 . 1 884 89 TYR CD2 C 133.92 . 1 885 89 TYR HD2 H 6.73 . 1 886 90 GLU N N 117.20 . 1 887 90 GLU H H 8.12 . 1 888 90 GLU CA C 55.22 . 1 889 90 GLU HA H 5.11 . 1 890 90 GLU CB C 33.62 . 1 891 90 GLU HB2 H 1.82 . 2 892 90 GLU HB3 H 2.08 . 2 893 90 GLU CG C 36.52 . 1 894 90 GLU HG2 H 2.18 . 1 895 90 GLU HG3 H 2.18 . 1 896 91 THR N N 114.20 . 1 897 91 THR H H 8.61 . 1 898 91 THR CA C 59.42 . 1 899 91 THR HA H 5.30 . 1 900 91 THR CB C 71.82 . 1 901 91 THR HB H 4.72 . 1 902 91 THR HG2 H 1.25 . 1 903 91 THR CG2 C 21.32 . 1 904 92 LYS N N 117.90 . 1 905 92 LYS H H 9.05 . 1 906 92 LYS CA C 59.22 . 1 907 92 LYS HA H 4.02 . 1 908 92 LYS CB C 32.12 . 1 909 92 LYS HB2 H 1.88 . 1 910 92 LYS HB3 H 1.88 . 1 911 92 LYS CG C 25.62 . 1 912 92 LYS HG2 H 1.54 . 1 913 92 LYS HG3 H 1.54 . 1 914 92 LYS HD2 H 1.72 . 1 915 92 LYS HD3 H 1.72 . 1 916 93 GLU N N 114.30 . 1 917 93 GLU H H 7.96 . 1 918 93 GLU CA C 57.62 . 1 919 93 GLU HA H 4.33 . 1 920 93 GLU CB C 31.62 . 1 921 93 GLU HB2 H 1.90 . 2 922 93 GLU HB3 H 2.00 . 2 923 93 GLU CG C 36.42 . 1 924 93 GLU HG2 H 2.22 . 1 925 93 GLU HG3 H 2.22 . 1 926 94 SER N N 111.80 . 1 927 94 SER H H 7.44 . 1 928 94 SER CA C 58.12 . 1 929 94 SER HA H 4.65 . 1 930 94 SER CB C 65.92 . 1 931 94 SER HB2 H 3.69 . 1 932 94 SER HB3 H 3.69 . 1 933 95 LYS N N 123.10 . 1 934 95 LYS H H 8.30 . 1 935 95 LYS CA C 56.82 . 1 936 95 LYS HA H 4.56 . 1 937 95 LYS CB C 32.92 . 1 938 95 LYS HB2 H 1.67 . 2 939 95 LYS HB3 H 1.80 . 2 940 95 LYS CG C 25.02 . 1 941 95 LYS HG2 H 1.39 . 1 942 95 LYS HG3 H 1.39 . 1 943 95 LYS CD C 29.72 . 1 944 95 LYS HE2 H 2.87 . 1 945 95 LYS HE3 H 2.87 . 1 946 96 LYS N N 126.40 . 1 947 96 LYS H H 8.84 . 1 948 96 LYS CA C 54.82 . 1 949 96 LYS HA H 4.48 . 1 950 96 LYS CB C 36.42 . 1 951 96 LYS HB2 H 1.31 . 2 952 96 LYS HB3 H 0.10 . 2 953 96 LYS CG C 24.82 . 1 954 96 LYS HG2 H 1.02 . 2 955 96 LYS HG3 H 1.08 . 2 956 96 LYS CD C 28.72 . 1 957 96 LYS HD2 H 1.57 . 1 958 96 LYS HD3 H 1.57 . 1 959 96 LYS HE2 H 2.95 . 1 960 96 LYS HE3 H 2.95 . 1 961 97 GLU N N 117.30 . 1 962 97 GLU H H 7.59 . 1 963 97 GLU CA C 54.62 . 1 964 97 GLU HA H 5.61 . 1 965 97 GLU CB C 33.12 . 1 966 97 GLU HB2 H 1.96 . 2 967 97 GLU HB3 H 1.71 . 2 968 97 GLU CG C 36.42 . 1 969 97 GLU HG2 H 2.24 . 2 970 97 GLU HG3 H 2.07 . 2 971 98 ASP N N 121.20 . 1 972 98 ASP H H 9.07 . 1 973 98 ASP CA C 54.52 . 1 974 98 ASP HA H 5.12 . 1 975 98 ASP CB C 47.62 . 1 976 98 ASP HB2 H 2.66 . 2 977 98 ASP HB3 H 2.50 . 2 978 99 LEU N N 119.80 . 1 979 99 LEU H H 8.33 . 1 980 99 LEU CA C 54.62 . 1 981 99 LEU HA H 4.86 . 1 982 99 LEU CB C 43.92 . 1 983 99 LEU HB2 H 1.88 . 2 984 99 LEU HB3 H 1.49 . 2 985 99 LEU CG C 27.02 . 1 986 99 LEU HG H 1.76 . 1 987 99 LEU HD1 H 0.86 . 1 988 99 LEU HD2 H 0.86 . 1 989 99 LEU CD1 C 24.52 . 1 990 99 LEU CD2 C 24.52 . 1 991 100 VAL N N 122.70 . 1 992 100 VAL H H 9.30 . 1 993 100 VAL CA C 61.12 . 1 994 100 VAL HA H 4.58 . 1 995 100 VAL CB C 34.82 . 1 996 100 VAL HB H 2.19 . 1 997 100 VAL HG1 H 0.82 . 2 998 100 VAL HG2 H 0.95 . 2 999 100 VAL CG1 C 20.92 . 1 1000 100 VAL CG2 C 21.42 . 1 1001 101 PHE N N 127.60 . 1 1002 101 PHE H H 8.65 . 1 1003 101 PHE CA C 56.42 . 1 1004 101 PHE HA H 5.47 . 1 1005 101 PHE CB C 41.22 . 1 1006 101 PHE HB2 H 3.20 . 2 1007 101 PHE HB3 H 3.03 . 2 1008 101 PHE CD1 C 132.12 . 1 1009 101 PHE HD1 H 7.22 . 1 1010 101 PHE CE1 C 129.92 . 1 1011 101 PHE HE1 H 6.99 . 1 1012 101 PHE CZ C 129.92 . 1 1013 101 PHE HZ H 6.71 . 1 1014 101 PHE CE2 C 129.92 . 1 1015 101 PHE HE2 H 6.99 . 1 1016 101 PHE CD2 C 132.12 . 1 1017 101 PHE HD2 H 7.22 . 1 1018 102 ILE N N 129.00 . 1 1019 102 ILE H H 8.93 . 1 1020 102 ILE CA C 59.42 . 1 1021 102 ILE HA H 5.11 . 1 1022 102 ILE CB C 41.22 . 1 1023 102 ILE HB H 1.69 . 1 1024 102 ILE HG2 H 0.86 . 1 1025 102 ILE CG2 C 15.92 . 1 1026 102 ILE CG1 C 28.82 . 1 1027 102 ILE HG12 H 1.15 . 1 1028 102 ILE HG13 H 1.15 . 1 1029 102 ILE HD1 H 0.76 . 1 1030 102 ILE CD1 C 14.12 . 1 1031 103 PHE N N 125.90 . 1 1032 103 PHE H H 8.91 . 1 1033 103 PHE CA C 53.52 . 1 1034 103 PHE HA H 5.55 . 1 1035 103 PHE CB C 39.52 . 1 1036 103 PHE HB2 H 3.10 . 2 1037 103 PHE HB3 H 3.21 . 2 1038 103 PHE CD1 C 130.82 . 1 1039 103 PHE HD1 H 7.36 . 1 1040 103 PHE CE1 C 130.72 . 1 1041 103 PHE HE1 H 7.13 . 1 1042 103 PHE CZ C 132.92 . 1 1043 103 PHE HZ H 7.05 . 1 1044 103 PHE CE2 C 130.72 . 1 1045 103 PHE HE2 H 7.13 . 1 1046 103 PHE CD2 C 130.82 . 1 1047 103 PHE HD2 H 7.36 . 1 1049 104 TRP H H 8.80 . 1 1050 104 TRP CA C 54.72 . 1 1051 104 TRP HA H 4.94 . 1 1052 104 TRP CB C 31.92 . 1 1053 104 TRP HB2 H 3.03 . 2 1054 104 TRP HB3 H 2.66 . 2 1055 104 TRP CD1 C 127.12 . 1 1056 104 TRP CE3 C 119.92 . 1 1057 104 TRP NE1 N 133.20 . 1 1058 104 TRP HD1 H 6.79 . 1 1059 104 TRP HE3 H 6.97 . 1 1060 104 TRP CZ3 C 119.62 . 1 1061 104 TRP CZ2 C 115.02 . 1 1062 104 TRP HE1 H 11.08 . 1 1063 104 TRP HZ3 H 6.31 . 1 1064 104 TRP CH2 C 122.92 . 1 1065 104 TRP HZ2 H 6.93 . 1 1066 104 TRP HH2 H 6.02 . 1 1067 105 ALA N N 129.00 . 1 1068 105 ALA H H 7.61 . 1 1069 105 ALA CA C 48.12 . 1 1070 105 ALA HA H 4.46 . 1 1071 105 ALA HB H 0.21 . 1 1072 105 ALA CB C 18.32 . 1 1073 106 PRO CD C 48.52 . 1 1074 106 PRO CA C 61.82 . 1 1075 106 PRO HA H 3.46 . 1 1076 106 PRO CB C 30.92 . 1 1077 106 PRO HB2 H 1.58 . 2 1078 106 PRO HB3 H 0.96 . 2 1079 106 PRO HG2 H 1.15 . 2 1080 106 PRO HG3 H 1.45 . 2 1081 106 PRO HD2 H 0.63 . 2 1082 106 PRO HD3 H 2.60 . 2 1083 107 GLU N N 120.80 . 1 1084 107 GLU H H 7.76 . 1 1085 107 GLU CA C 58.62 . 1 1086 107 GLU HA H 3.80 . 1 1087 107 GLU CB C 29.52 . 1 1088 107 GLU HB2 H 2.00 . 1 1089 107 GLU HB3 H 2.00 . 1 1090 107 GLU CG C 35.82 . 1 1091 107 GLU HG2 H 2.27 . 2 1092 107 GLU HG3 H 2.31 . 2 1094 108 SER H H 7.74 . 1 1095 108 SER CA C 58.32 . 1 1096 108 SER HA H 4.25 . 1 1097 108 SER CB C 63.22 . 1 1098 108 SER HB2 H 3.91 . 2 1099 108 SER HB3 H 3.87 . 2 1100 109 ALA N N 124.70 . 1 1101 109 ALA H H 7.42 . 1 1102 109 ALA CA C 50.32 . 1 1103 109 ALA HA H 4.33 . 1 1104 109 ALA HB H 1.01 . 1 1105 109 ALA CB C 17.62 . 1 1106 110 PRO CD C 50.82 . 1 1107 110 PRO CA C 62.62 . 1 1108 110 PRO HA H 4.43 . 1 1109 110 PRO CB C 32.32 . 1 1110 110 PRO HB2 H 2.52 . 2 1111 110 PRO HB3 H 1.93 . 2 1112 110 PRO CG C 28.12 . 1 1113 110 PRO HG2 H 2.23 . 2 1114 110 PRO HG3 H 2.17 . 2 1115 110 PRO HD2 H 4.07 . 2 1116 110 PRO HD3 H 3.59 . 2 1117 111 LEU N N 127.00 . 1 1118 111 LEU H H 8.73 . 1 1119 111 LEU CA C 58.82 . 1 1120 111 LEU HA H 3.93 . 1 1121 111 LEU CB C 41.52 . 1 1122 111 LEU HB2 H 1.65 . 2 1123 111 LEU HB3 H 1.73 . 2 1124 111 LEU HD1 H 0.97 . 1 1125 111 LEU HD2 H 0.97 . 1 1126 111 LEU CD1 C 23.62 . 1 1127 111 LEU CD2 C 23.62 . 1 1128 112 LYS N N 115.60 . 1 1129 112 LYS H H 8.82 . 1 1130 112 LYS CA C 59.62 . 1 1131 112 LYS HA H 4.06 . 1 1132 112 LYS CB C 32.12 . 1 1133 112 LYS HB2 H 1.86 . 1 1134 112 LYS HB3 H 1.86 . 1 1135 112 LYS CG C 25.32 . 1 1136 112 LYS HG2 H 1.47 . 1 1137 112 LYS HG3 H 1.47 . 1 1138 112 LYS HD2 H 1.59 . 1 1139 112 LYS HD3 H 1.59 . 1 1140 113 SER N N 112.80 . 1 1141 113 SER H H 7.06 . 1 1142 113 SER CA C 61.12 . 1 1143 113 SER HA H 4.49 . 1 1144 113 SER CB C 63.12 . 1 1145 113 SER HB2 H 4.15 . 1 1146 113 SER HB3 H 4.15 . 1 1147 114 LYS N N 121.30 . 1 1148 114 LYS H H 8.11 . 1 1149 114 LYS CA C 60.82 . 1 1150 114 LYS HA H 4.16 . 1 1151 114 LYS CB C 31.92 . 1 1152 114 LYS HB2 H 1.82 . 2 1153 114 LYS HB3 H 1.75 . 2 1154 114 LYS CG C 26.02 . 1 1155 114 LYS HG2 H 1.03 . 2 1156 114 LYS HG3 H 1.25 . 2 1157 114 LYS HD2 H 1.44 . 2 1158 114 LYS HD3 H 1.58 . 2 1159 114 LYS HE2 H 2.72 . 2 1160 114 LYS HE3 H 2.84 . 2 1161 115 MET N N 115.90 . 1 1162 115 MET H H 8.55 . 1 1163 115 MET CA C 59.02 . 1 1164 115 MET HA H 4.28 . 1 1165 115 MET CB C 32.52 . 1 1166 115 MET HB2 H 2.18 . 1 1167 115 MET HB3 H 2.18 . 1 1168 115 MET CG C 32.22 . 1 1169 115 MET HG2 H 2.61 . 2 1170 115 MET HG3 H 2.78 . 2 1171 115 MET HE H 2.11 . 1 1172 115 MET CE C 16.52 . 1 1173 116 ILE N N 121.00 . 1 1174 116 ILE H H 7.89 . 1 1175 116 ILE CA C 64.52 . 1 1176 116 ILE HA H 4.08 . 1 1177 116 ILE CB C 38.02 . 1 1178 116 ILE HB H 1.93 . 1 1179 116 ILE HG2 H 0.94 . 1 1180 116 ILE CG2 C 18.12 . 1 1181 116 ILE CG1 C 28.92 . 1 1182 116 ILE HG12 H 1.72 . 2 1183 116 ILE HG13 H 1.15 . 2 1184 116 ILE HD1 H 0.90 . 1 1185 116 ILE CD1 C 13.82 . 1 1186 117 TYR N N 121.60 . 1 1187 117 TYR H H 8.86 . 1 1188 117 TYR CA C 62.12 . 1 1189 117 TYR HA H 4.24 . 1 1190 117 TYR CB C 37.72 . 1 1191 117 TYR HB2 H 3.26 . 2 1192 117 TYR HB3 H 2.83 . 2 1193 117 TYR HD1 H 7.13 . 1 1194 117 TYR HE1 H 7.06 . 1 1195 117 TYR HE2 H 7.06 . 1 1196 117 TYR HD2 H 7.13 . 1 1197 118 ALA N N 123.40 . 1 1198 118 ALA H H 8.97 . 1 1199 118 ALA CA C 56.02 . 1 1200 118 ALA HA H 4.18 . 1 1201 118 ALA HB H 1.72 . 1 1202 118 ALA CB C 18.12 . 1 1203 119 SER N N 113.60 . 1 1204 119 SER H H 8.31 . 1 1205 119 SER CA C 61.12 . 1 1206 119 SER HA H 4.37 . 1 1207 119 SER CB C 63.02 . 1 1208 119 SER HB2 H 4.05 . 2 1209 119 SER HB3 H 4.10 . 2 1210 120 SER N N 115.10 . 1 1211 120 SER H H 7.52 . 1 1212 120 SER CA C 59.52 . 1 1213 120 SER HA H 4.58 . 1 1214 120 SER CB C 63.62 . 1 1215 120 SER HB2 H 3.82 . 2 1216 120 SER HB3 H 4.03 . 2 1217 121 LYS N N 121.90 . 1 1218 121 LYS H H 7.06 . 1 1219 121 LYS CA C 59.82 . 1 1220 121 LYS HA H 3.54 . 1 1221 121 LYS CB C 31.42 . 1 1222 121 LYS HB2 H 1.77 . 1 1223 121 LYS HB3 H 1.77 . 1 1224 121 LYS CG C 24.22 . 1 1225 121 LYS HG2 H 1.31 . 1 1226 121 LYS HG3 H 1.31 . 1 1227 121 LYS HD2 H 1.71 . 1 1228 121 LYS HD3 H 1.71 . 1 1229 121 LYS HE2 H 2.90 . 1 1230 121 LYS HE3 H 2.90 . 1 1231 122 ASP N N 117.50 . 1 1232 122 ASP H H 8.37 . 1 1233 122 ASP CA C 57.32 . 1 1234 122 ASP HA H 4.22 . 1 1235 122 ASP CB C 40.22 . 1 1236 122 ASP HB2 H 2.49 . 2 1237 122 ASP HB3 H 2.59 . 2 1238 123 ALA N N 121.60 . 1 1239 123 ALA H H 7.61 . 1 1240 123 ALA CA C 54.72 . 1 1241 123 ALA HA H 3.93 . 1 1242 123 ALA HB H 1.36 . 1 1243 123 ALA CB C 17.82 . 1 1244 124 ILE N N 114.70 . 1 1245 124 ILE H H 7.23 . 1 1246 124 ILE CA C 63.12 . 1 1247 124 ILE HA H 3.74 . 1 1248 124 ILE CB C 37.12 . 1 1249 124 ILE HB H 1.42 . 1 1250 124 ILE HG2 H 0.40 . 1 1251 124 ILE CG2 C 16.12 . 1 1252 124 ILE CG1 C 29.22 . 1 1253 124 ILE HG12 H 0.70 . 2 1254 124 ILE HG13 H 1.15 . 2 1255 124 ILE HD1 H 0.43 . 1 1256 124 ILE CD1 C 14.22 . 1 1257 125 LYS N N 121.60 . 1 1258 125 LYS H H 7.88 . 1 1259 125 LYS CA C 59.32 . 1 1260 125 LYS HA H 3.24 . 1 1261 125 LYS CB C 31.12 . 1 1262 125 LYS HB2 H 1.42 . 2 1263 125 LYS HB3 H 1.63 . 2 1264 125 LYS CG C 24.92 . 1 1265 125 LYS HG2 H 1.11 . 2 1266 125 LYS HG3 H 0.86 . 2 1267 126 LYS N N 115.80 . 1 1268 126 LYS H H 7.66 . 1 1269 126 LYS CA C 58.32 . 1 1270 126 LYS HA H 3.87 . 1 1271 126 LYS CB C 32.42 . 1 1272 126 LYS HB2 H 1.76 . 1 1273 126 LYS HB3 H 1.76 . 1 1274 126 LYS CG C 25.42 . 1 1275 126 LYS HG2 H 1.38 . 2 1276 126 LYS HG3 H 1.46 . 2 1277 126 LYS HE2 H 2.89 . 1 1278 126 LYS HE3 H 2.89 . 1 1279 127 LYS N N 115.60 . 1 1280 127 LYS H H 7.04 . 1 1281 127 LYS CA C 55.32 . 1 1282 127 LYS HA H 4.23 . 1 1283 127 LYS CB C 32.42 . 1 1284 127 LYS HB2 H 1.72 . 1 1285 127 LYS HB3 H 1.72 . 1 1286 127 LYS CG C 24.62 . 1 1287 127 LYS HG2 H 1.47 . 1 1288 127 LYS HG3 H 1.47 . 1 1289 127 LYS CD C 28.62 . 1 1290 127 LYS HD2 H 1.55 . 1 1291 127 LYS HD3 H 1.55 . 1 1292 127 LYS HE2 H 2.95 . 1 1293 127 LYS HE3 H 2.95 . 1 1294 128 LEU N N 122.90 . 1 1295 128 LEU H H 7.33 . 1 1296 128 LEU CA C 52.22 . 1 1297 128 LEU HA H 3.64 . 1 1299 128 LEU HB2 H 1.27 . 2 1300 128 LEU HB3 H 0.08 . 2 1301 128 LEU CG C 27.32 . 1 1302 128 LEU HG H 1.31 . 1 1303 128 LEU HD1 H 0.29 . 2 1304 128 LEU HD2 H 0.07 . 2 1305 128 LEU CD1 C 25.32 . 1 1306 128 LEU CD2 C 21.82 . 1 1307 129 THR N N 113.70 . 1 1308 129 THR H H 7.15 . 1 1309 129 THR CA C 63.42 . 1 1310 129 THR HA H 3.90 . 1 1311 129 THR CB C 69.32 . 1 1312 129 THR HB H 4.10 . 1 1313 129 THR HG2 H 1.20 . 1 1314 129 THR CG2 C 21.82 . 1 1315 130 GLY N N 112.30 . 1 1316 130 GLY H H 8.76 . 1 1317 130 GLY CA C 45.32 . 1 1318 130 GLY HA2 H 4.31 . 2 1319 130 GLY HA3 H 3.70 . 2 1320 131 ILE N N 121.40 . 1 1321 131 ILE H H 7.85 . 1 1322 131 ILE CA C 61.72 . 1 1323 131 ILE HA H 4.25 . 1 1324 131 ILE CB C 37.62 . 1 1325 131 ILE HB H 1.89 . 1 1326 131 ILE HG2 H 1.01 . 1 1327 131 ILE CG2 C 18.72 . 1 1328 131 ILE CG1 C 28.72 . 1 1329 131 ILE HG12 H 1.24 . 1 1330 131 ILE HG13 H 1.24 . 1 1331 131 ILE HD1 H 0.89 . 1 1332 131 ILE CD1 C 14.62 . 1 1333 132 LYS N N 127.90 . 1 1334 132 LYS H H 9.36 . 1 1335 132 LYS CA C 56.92 . 1 1336 132 LYS HA H 4.28 . 1 1337 132 LYS CB C 33.92 . 1 1338 132 LYS HB2 H 1.45 . 1 1339 132 LYS HB3 H 1.45 . 1 1340 132 LYS CG C 24.62 . 1 1341 132 LYS HG2 H 1.33 . 1 1342 132 LYS HG3 H 1.33 . 1 1343 132 LYS CD C 29.12 . 1 1344 132 LYS HD2 H 1.62 . 1 1345 132 LYS HD3 H 1.62 . 1 1346 133 HIS N N 116.70 . 1 1347 133 HIS H H 7.13 . 1 1348 133 HIS CA C 55.22 . 1 1349 133 HIS HA H 5.05 . 1 1350 133 HIS CB C 34.32 . 1 1351 133 HIS HB2 H 3.25 . 2 1352 133 HIS HB3 H 2.72 . 2 1353 133 HIS CE1 C 138.92 . 1 1354 133 HIS HE1 H 7.92 . 1 1355 134 GLU N N 123.10 . 1 1356 134 GLU H H 8.84 . 1 1357 134 GLU CA C 53.92 . 1 1358 134 GLU HA H 5.90 . 1 1359 134 GLU CB C 33.72 . 1 1360 134 GLU HB2 H 2.07 . 1 1361 134 GLU HB3 H 2.07 . 1 1362 134 GLU CG C 36.32 . 1 1363 134 GLU HG2 H 2.29 . 2 1364 134 GLU HG3 H 2.19 . 2 1365 135 LEU N N 125.00 . 1 1366 135 LEU H H 9.00 . 1 1367 135 LEU CA C 54.12 . 1 1368 135 LEU HA H 4.79 . 1 1369 135 LEU CB C 46.32 . 1 1370 135 LEU HB2 H 1.75 . 2 1371 135 LEU HB3 H 1.29 . 2 1372 135 LEU CG C 27.52 . 1 1373 135 LEU HG H 1.51 . 1 1374 135 LEU HD1 H 0.86 . 2 1375 135 LEU HD2 H 0.82 . 2 1376 135 LEU CD1 C 25.22 . 1 1377 135 LEU CD2 C 25.22 . 1 1378 136 GLN N N 126.70 . 1 1379 136 GLN H H 8.96 . 1 1380 136 GLN CA C 54.32 . 1 1381 136 GLN HA H 5.45 . 1 1382 136 GLN CB C 30.02 . 1 1383 136 GLN HB2 H 2.08 . 2 1384 136 GLN HB3 H 2.24 . 2 1385 136 GLN CG C 33.82 . 1 1386 136 GLN HG2 H 2.13 . 2 1387 136 GLN HG3 H 2.21 . 2 1388 136 GLN NE2 N 111.60 . 1 1389 136 GLN HE21 H 7.63 . 2 1390 136 GLN HE22 H 6.79 . 2 1391 137 ALA N N 126.80 . 1 1392 137 ALA H H 8.53 . 1 1393 137 ALA CA C 50.22 . 1 1394 137 ALA HA H 4.94 . 1 1395 137 ALA HB H 1.44 . 1 1396 137 ALA CB C 22.82 . 1 1397 138 ASN N N 118.50 . 1 1398 138 ASN H H 9.26 . 1 1399 138 ASN CA C 52.32 . 1 1400 138 ASN HA H 4.54 . 1 1401 138 ASN CB C 40.32 . 1 1402 138 ASN HB2 H 2.79 . 2 1403 138 ASN HB3 H 2.70 . 2 1404 138 ASN ND2 N 112.50 . 1 1405 138 ASN HD21 H 7.78 . 2 1406 138 ASN HD22 H 6.76 . 2 1407 139 CYS N N 109.90 . 1 1408 139 CYS H H 7.52 . 1 1409 139 CYS CA C 55.82 . 1 1410 139 CYS CB C 29.62 . 1 1411 139 CYS HB2 H 3.60 . 2 1412 139 CYS HB3 H 3.21 . 2 1413 140 TYR N N 124.10 . 1 1414 140 TYR H H 9.51 . 1 1415 140 TYR CA C 62.02 . 1 1416 140 TYR HA H 4.35 . 1 1417 140 TYR CB C 38.32 . 1 1418 140 TYR HB2 H 3.19 . 2 1419 140 TYR HB3 H 2.91 . 2 1420 140 TYR CD1 C 132.72 . 1 1421 140 TYR HD1 H 6.95 . 1 1422 140 TYR CE1 C 118.42 . 1 1423 140 TYR HE1 H 6.62 . 1 1424 140 TYR CE2 C 118.42 . 1 1425 140 TYR HE2 H 6.62 . 1 1426 140 TYR CD2 C 132.72 . 1 1427 140 TYR HD2 H 6.95 . 1 1428 141 GLU N N 118.50 . 1 1429 141 GLU H H 9.47 . 1 1430 141 GLU CA C 60.82 . 1 1431 141 GLU HA H 3.77 . 1 1432 141 GLU CB C 28.62 . 1 1433 141 GLU HB2 H 2.22 . 2 1434 141 GLU HB3 H 2.04 . 2 1435 141 GLU CG C 37.32 . 1 1436 141 GLU HG2 H 2.33 . 2 1437 141 GLU HG3 H 2.59 . 2 1438 142 GLU N N 116.20 . 1 1439 142 GLU H H 7.34 . 1 1440 142 GLU CA C 58.02 . 1 1441 142 GLU HA H 4.32 . 1 1442 142 GLU CB C 31.32 . 1 1443 142 GLU HB2 H 2.26 . 1 1444 142 GLU HB3 H 2.26 . 1 1445 142 GLU CG C 37.42 . 1 1446 142 GLU HG2 H 2.35 . 2 1447 142 GLU HG3 H 2.40 . 2 1448 143 VAL N N 115.20 . 1 1449 143 VAL H H 7.49 . 1 1450 143 VAL CA C 62.42 . 1 1451 143 VAL HA H 4.34 . 1 1452 143 VAL CB C 33.42 . 1 1453 143 VAL HB H 1.93 . 1 1454 143 VAL HG1 H 0.79 . 2 1455 143 VAL HG2 H 0.82 . 2 1456 143 VAL CG1 C 20.72 . 1 1457 143 VAL CG2 C 21.92 . 1 1458 144 LYS N N 118.90 . 1 1459 144 LYS H H 7.90 . 1 1460 144 LYS CA C 58.02 . 1 1461 144 LYS HA H 3.96 . 1 1462 144 LYS CB C 32.12 . 1 1463 144 LYS HB2 H 1.43 . 2 1464 144 LYS HB3 H 1.63 . 2 1465 144 LYS CG C 24.62 . 1 1466 144 LYS HG2 H 1.36 . 1 1467 144 LYS HG3 H 1.36 . 1 1468 144 LYS HD2 H 2.28 . 1 1469 144 LYS HD3 H 2.28 . 1 1470 144 LYS HE2 H 2.91 . 1 1471 144 LYS HE3 H 2.91 . 1 1472 145 ASP N N 118.60 . 1 1473 145 ASP H H 7.41 . 1 1474 145 ASP CA C 53.62 . 1 1475 145 ASP HA H 4.67 . 1 1476 145 ASP CB C 41.42 . 1 1477 145 ASP HB2 H 3.07 . 2 1478 145 ASP HB3 H 2.66 . 2 1479 146 ARG N N 127.20 . 1 1480 146 ARG H H 8.70 . 1 1481 146 ARG CA C 58.82 . 1 1482 146 ARG HA H 3.58 . 1 1483 146 ARG CB C 30.12 . 1 1484 146 ARG HB2 H 1.63 . 2 1485 146 ARG HB3 H 1.71 . 2 1486 146 ARG CG C 28.22 . 1 1487 146 ARG HG2 H 1.71 . 2 1488 146 ARG HG3 H 1.44 . 2 1489 146 ARG CD C 43.52 . 1 1490 146 ARG HD2 H 3.32 . 2 1491 146 ARG HD3 H 3.19 . 2 1492 147 CYS N N 117.10 . 1 1493 147 CYS H H 8.55 . 1 1494 147 CYS CA C 62.32 . 1 1495 147 CYS HA H 3.98 . 1 1496 147 CYS CB C 26.42 . 1 1497 147 CYS HB2 H 3.03 . 2 1498 147 CYS HB3 H 2.96 . 2 1499 148 THR N N 119.10 . 1 1500 148 THR H H 7.80 . 1 1501 148 THR CA C 66.02 . 1 1502 148 THR HA H 3.91 . 1 1503 148 THR CB C 67.92 . 1 1504 148 THR HB H 4.25 . 1 1505 148 THR HG2 H 1.24 . 1 1506 148 THR CG2 C 22.52 . 1 1507 149 LEU N N 122.20 . 1 1508 149 LEU H H 7.07 . 1 1509 149 LEU CA C 57.52 . 1 1510 149 LEU HA H 3.87 . 1 1511 149 LEU CB C 40.62 . 1 1512 149 LEU HB2 H 1.23 . 2 1513 149 LEU HB3 H 1.41 . 2 1514 149 LEU HD1 H 0.70 . 2 1515 149 LEU HD2 H 0.44 . 2 1516 149 LEU CD1 C 23.52 . 1 1517 149 LEU CD2 C 25.72 . 1 1518 150 ALA N N 119.20 . 1 1519 150 ALA H H 8.01 . 1 1520 150 ALA CA C 55.72 . 1 1521 150 ALA HA H 3.53 . 1 1522 150 ALA HB H 1.33 . 1 1523 150 ALA CB C 19.02 . 1 1524 151 GLU N N 116.50 . 1 1525 151 GLU H H 8.01 . 1 1526 151 GLU CA C 59.22 . 1 1527 151 GLU HA H 3.89 . 1 1528 151 GLU CB C 29.12 . 1 1529 151 GLU HB2 H 2.13 . 2 1530 151 GLU HB3 H 2.08 . 2 1531 151 GLU CG C 36.02 . 1 1532 151 GLU HG2 H 2.23 . 2 1533 151 GLU HG3 H 2.34 . 2 1534 152 LYS N N 118.80 . 1 1535 152 LYS H H 7.43 . 1 1536 152 LYS CA C 57.22 . 1 1537 152 LYS HA H 4.13 . 1 1539 152 LYS HB2 H 1.95 . 2 1540 152 LYS HB3 H 1.84 . 2 1541 152 LYS CG C 25.52 . 1 1542 152 LYS HG2 H 1.23 . 2 1543 152 LYS HG3 H -0.05 . 2 1544 152 LYS HD2 H 0.85 . 1 1545 152 LYS HD3 H 0.85 . 1 1546 152 LYS HE2 H 3.56 . 1 1547 152 LYS HE3 H 3.56 . 1 1548 153 LEU N N 116.70 . 1 1549 153 LEU H H 7.41 . 1 1550 153 LEU CA C 55.92 . 1 1551 153 LEU HA H 3.60 . 1 1553 153 LEU HB2 H 0.42 . 2 1554 153 LEU HB3 H 1.10 . 2 1555 153 LEU HG H 1.23 . 1 1556 153 LEU HD1 H -0.03 . 1 1557 153 LEU HD2 H -0.03 . 1 1558 153 LEU CD1 C 20.62 . 1 1559 153 LEU CD2 C 20.62 . 1 1560 154 GLY N N 102.30 . 1 1561 154 GLY H H 7.52 . 1 1562 154 GLY CA C 46.32 . 1 1563 154 GLY HA2 H 3.67 . 2 1564 154 GLY HA3 H 4.27 . 2 1565 155 GLY N N 113.20 . 1 1566 155 GLY H H 8.70 . 1 1567 155 GLY CA C 46.52 . 1 1568 155 GLY HA2 H 3.88 . 2 1569 155 GLY HA3 H 4.15 . 2 1570 156 SER N N 120.60 . 1 1571 156 SER H H 8.89 . 1 1572 156 SER CA C 59.72 . 1 1573 156 SER HA H 4.32 . 1 1574 156 SER CB C 63.02 . 1 1575 156 SER HB2 H 4.01 . 2 1576 156 SER HB3 H 3.95 . 2 1577 157 ALA N N 121.80 . 1 1578 157 ALA H H 7.66 . 1 1579 157 ALA CA C 52.72 . 1 1580 157 ALA HA H 4.29 . 1 1581 157 ALA HB H 1.55 . 1 1582 157 ALA CB C 19.52 . 1 1583 158 VAL N N 117.90 . 1 1584 158 VAL H H 7.33 . 1 1585 158 VAL CA C 63.72 . 1 1586 158 VAL HA H 4.01 . 1 1587 158 VAL CB C 31.12 . 1 1588 158 VAL HB H 2.05 . 1 1589 158 VAL HG1 H 1.01 . 2 1590 158 VAL HG2 H 0.83 . 2 1591 158 VAL CG1 C 23.02 . 1 1592 158 VAL CG2 C 22.32 . 1 1593 159 ILE N N 120.90 . 1 1594 159 ILE H H 8.82 . 1 1595 159 ILE CA C 61.22 . 1 1596 159 ILE HA H 4.50 . 1 1597 159 ILE CB C 39.22 . 1 1598 159 ILE HB H 1.95 . 1 1599 159 ILE HG2 H 0.89 . 1 1600 159 ILE CG2 C 18.02 . 1 1601 159 ILE CG1 C 26.82 . 1 1602 159 ILE HG12 H 0.78 . 2 1603 159 ILE HG13 H 1.21 . 2 1604 159 ILE HD1 H 0.69 . 1 1605 159 ILE CD1 C 13.42 . 1 1606 160 SER N N 116.50 . 1 1607 160 SER H H 7.83 . 1 1608 160 SER CA C 57.32 . 1 1609 160 SER HA H 4.67 . 1 1610 160 SER CB C 64.62 . 1 1611 160 SER HB2 H 3.60 . 2 1612 160 SER HB3 H 3.41 . 2 1613 161 LEU N N 121.70 . 1 1614 161 LEU H H 8.30 . 1 1615 161 LEU CA C 54.82 . 1 1616 161 LEU HA H 4.89 . 1 1618 161 LEU HB2 H 1.68 . 2 1619 161 LEU HB3 H 1.20 . 2 1620 161 LEU HD1 H 0.66 . 2 1621 161 LEU HD2 H 0.89 . 2 1622 161 LEU CD1 C 26.52 . 1 1623 161 LEU CD2 C 24.02 . 1 1624 162 GLU N N 126.80 . 1 1625 162 GLU H H 9.97 . 1 1626 162 GLU CA C 55.92 . 1 1627 162 GLU HA H 4.09 . 1 1628 162 GLU CB C 26.22 . 1 1629 162 GLU HB2 H 2.13 . 2 1630 162 GLU HB3 H 2.30 . 2 1631 162 GLU CG C 32.12 . 1 1632 162 GLU HG2 H 2.46 . 2 1633 162 GLU HG3 H 2.50 . 2 1635 163 GLY H H 9.55 . 1 1636 163 GLY CA C 45.22 . 1 1637 163 GLY HA2 H 4.13 . 2 1638 163 GLY HA3 H 3.58 . 2 1639 164 LYS N N 121.10 . 1 1640 164 LYS H H 7.63 . 1 1641 164 LYS CA C 52.42 . 1 1642 164 LYS HA H 4.98 . 1 1643 164 LYS CB C 33.82 . 1 1644 164 LYS HB2 H 1.86 . 2 1645 164 LYS HB3 H 1.75 . 2 1646 164 LYS CG C 25.42 . 1 1647 164 LYS HG2 H 1.36 . 2 1648 164 LYS HG3 H 1.47 . 2 1649 165 PRO CD C 51.02 . 1 1651 165 PRO HA H 4.52 . 1 1653 165 PRO HB2 H 2.40 . 2 1654 165 PRO HB3 H 1.96 . 2 1655 165 PRO CG C 27.42 . 1 1656 165 PRO HG2 H 2.07 . 2 1657 165 PRO HG3 H 1.99 . 2 1658 165 PRO HD2 H 3.67 . 2 1659 165 PRO HD3 H 3.92 . 2 1661 166 LEU H H 7.63 . 1 1663 166 LEU HA H 4.08 . 1 1665 166 LEU HB2 H 1.43 . 2 1666 166 LEU HB3 H 1.56 . 2 1667 166 LEU CG C 25.92 . 1 1668 166 LEU HG H 0.68 . 1 1669 166 LEU HD1 H 0.67 . 1 1670 166 LEU HD2 H 0.67 . 1 1671 166 LEU CD1 C 24.02 . 1 1672 166 LEU CD2 C 24.02 . 1 stop_ save_