data_4335 #Corrected using PDB structure: 1NYAA # #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 # 13 F HA 3.21 4.26 # 36 I HA 3.26 3.97 # 81 I HA 3.37 4.46 #142 F HA 3.30 4.13 #153 L HA 5.34 4.41 # #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 A CB 18.95 26.30 # #After reference correction, the following residues still #have a CO chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #172 V C 178.37 171.87 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 47 A N 127.08 114.63 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 17 D H 6.94 9.09 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.00 -0.15 0.05 -0.13 -1.72 -0.03 # #bmr4335.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4335.str file): #HA CA CB CO N HN #N/A -0.05 -0.05 -0.13 -1.72 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.02 +/-0.11 +/-0.12 +/-0.11 +/-0.30 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.800 0.979 0.995 0.796 0.830 0.489 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.137 0.702 0.723 0.704 1.948 0.393 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Assignments, Secondary Structure and Global Fold of Calerythrin, an EF-hand Calcium-binding Protein from Saccharopolyspora erythraea. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aitio Helena . . 2 Annila Arto . . 3 Heikkinen Sami . . 4 Thulin Eva . . 5 Drakenberg Torbjorn . . 6 Kilpelainen Ilkka . . stop_ _BMRB_accession_number 4335 _BMRB_flat_file_name bmr4335.str _Entry_type new _Submission_date 1999-04-21 _Accession_date 1999-04-21 _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' 815 '13C chemical shifts' 627 '15N chemical shifts' 181 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; NMR Assignments, Secondary Structure and Global Fold of Calerythrin, an EF-hand Calcium-binding Protein from Saccharopolyspora erythraea. ; _Citation_status published _Citation_type journal _MEDLINE_UI_code ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aitio Helena . . 2 Annila Arto . . 3 Heikkinen Sami . . 4 Thulin Eva . . 5 Drakenberg Torbjorn . . 6 Kilpelainen Ilkka . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 8 _Page_first 2580 _Page_last 2588 _Year 1999 loop_ _Keyword calerythrin 'calcium-binding protein' EF-hand 'secondary structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_calerythin _Saveframe_category molecular_system _Mol_system_name calerythrin _Abbreviation_common calerythrin loop_ _Mol_system_component_name _Mol_label calerythrin $calerythrin Ca $Ca stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'fully reduced' save_ ######################## # Monomeric polymers # ######################## save_calerythrin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common calerythrin _Abbreviation_common calerythrin ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; TTAIASDRLKKRFDRWDFDG NGALERADFEKEAQHIAEAF GKDAGAAEVQTLKNAFGGLF DYLAKEAGVGSDGSLTEEQF IRVTENLIFEQGEASFNRVL GPVVKGIVGMCDKNADGQIN ADEFAAWLTALGMSKAEAAE AFNQVDTNGNGELSLDELLT AVRDFHFGRLDVELLG ; loop_ _Residue_seq_code _Residue_label 1 THR 2 THR 3 ALA 4 ILE 5 ALA 6 SER 7 ASP 8 ARG 9 LEU 10 LYS 11 LYS 12 ARG 13 PHE 14 ASP 15 ARG 16 TRP 17 ASP 18 PHE 19 ASP 20 GLY 21 ASN 22 GLY 23 ALA 24 LEU 25 GLU 26 ARG 27 ALA 28 ASP 29 PHE 30 GLU 31 LYS 32 GLU 33 ALA 34 GLN 35 HIS 36 ILE 37 ALA 38 GLU 39 ALA 40 PHE 41 GLY 42 LYS 43 ASP 44 ALA 45 GLY 46 ALA 47 ALA 48 GLU 49 VAL 50 GLN 51 THR 52 LEU 53 LYS 54 ASN 55 ALA 56 PHE 57 GLY 58 GLY 59 LEU 60 PHE 61 ASP 62 TYR 63 LEU 64 ALA 65 LYS 66 GLU 67 ALA 68 GLY 69 VAL 70 GLY 71 SER 72 ASP 73 GLY 74 SER 75 LEU 76 THR 77 GLU 78 GLU 79 GLN 80 PHE 81 ILE 82 ARG 83 VAL 84 THR 85 GLU 86 ASN 87 LEU 88 ILE 89 PHE 90 GLU 91 GLN 92 GLY 93 GLU 94 ALA 95 SER 96 PHE 97 ASN 98 ARG 99 VAL 100 LEU 101 GLY 102 PRO 103 VAL 104 VAL 105 LYS 106 GLY 107 ILE 108 VAL 109 GLY 110 MET 111 CYS 112 ASP 113 LYS 114 ASN 115 ALA 116 ASP 117 GLY 118 GLN 119 ILE 120 ASN 121 ALA 122 ASP 123 GLU 124 PHE 125 ALA 126 ALA 127 TRP 128 LEU 129 THR 130 ALA 131 LEU 132 GLY 133 MET 134 SER 135 LYS 136 ALA 137 GLU 138 ALA 139 ALA 140 GLU 141 ALA 142 PHE 143 ASN 144 GLN 145 VAL 146 ASP 147 THR 148 ASN 149 GLY 150 ASN 151 GLY 152 GLU 153 LEU 154 SER 155 LEU 156 ASP 157 GLU 158 LEU 159 LEU 160 THR 161 ALA 162 VAL 163 ARG 164 ASP 165 PHE 166 HIS 167 PHE 168 GLY 169 ARG 170 LEU 171 ASP 172 VAL 173 GLU 174 LEU 175 LEU 176 GLY 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 1NYA "A Chain A, Nmr Solution Structure OfCalerythrin, An Ef-Hand Calcium- Binding Protein" 100.00 176 100 100 6e-96 GenBank AAA26481.1 "calcium binding protein" 99.44 177 99 99 10e-95 PIR A29289 "calcium-binding protein - Saccharopolysporaerythraea" 99.44 177 99 99 10e-95 PRF 1311341A "Ca binding protein" 99.44 177 99 99 10e-95 SWISS-PROT P06495 "CBP_SACER Calerythrin (Calcium-binding protein)" 99.44 177 99 99 10e-95 stop_ save_ ############# # Ligands # ############# save_Ca _Saveframe_category ligand _Mol_type non-polymer _Name_common calcium _Abbreviation_common Ca _Name_IUPAC calcium _Mol_charge +2 _Mol_paramagnetic no _Mol_aromatic no save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $calerythrin 'Streptomyces erythraeus' 1836 Eubacteria . Saccharopolyspora erythraea stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method $calerythrin 'recombinant technology' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $calerythrin 1.0 mM "[U-13C; U-15N]" CaCl2 4 mM . DTT 10 mM . H2O 97 % . D2O 3 % . stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name FELIX _Version 97.0 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Details ; HNCACB HN(CO)CACB CC(CO)NH HNCO HCCH-TOCSY [15N]-edited NOESY [15N,15N]-edited NOESY [15N,13C]-edited NOESY [15N]-edited TOCSY ; save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 na temperature 318 0.5 K 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 H2O H 1 protons ppm 4.55 internal direct cylindrical internal parallel_to_Bo . H2O C 13 protons ppm 4.55 internal indirect cylindrical internal parallel_to_Bo 0.25144954 H2O N 15 protons ppm 4.55 internal indirect cylindrical internal parallel_to_Bo 0.101329 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_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name calerythrin 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 THR HA H 4.33 . 1 2 2 THR HB H 4.25 . 1 3 2 THR HG2 H 1.13 . 1 4 2 THR CA C 61.75 . 1 5 2 THR CB C 69.65 . 1 6 2 THR CG2 C 21.25 . 1 7 3 ALA H H 8.42 . 1 8 3 ALA HA H 4.53 . 1 9 3 ALA C C 178.57 . 1 10 3 ALA CA C 53.95 . 1 11 3 ALA CB C 18.85 . 1 12 3 ALA N N 125.68 . 1 13 4 ILE H H 7.91 . 1 14 4 ILE HA H 4.02 . 1 15 4 ILE HB H 1.77 . 1 16 4 ILE HG12 H 1.43 . 2 17 4 ILE HG13 H 1.09 . 2 18 4 ILE HG2 H 0.78 . 1 19 4 ILE HD1 H 0.78 . 1 20 4 ILE C C 176.47 . 1 21 4 ILE CA C 62.35 . 1 22 4 ILE CB C 38.35 . 1 23 4 ILE CG1 C 28.45 . 1 24 4 ILE CG2 C 17.25 . 1 25 4 ILE CD1 C 13.35 . 1 26 4 ILE N N 117.78 . 1 27 5 ALA H H 7.89 . 1 28 5 ALA HA H 4.25 . 1 29 5 ALA HB H 1.40 . 1 30 5 ALA C C 179.47 . 1 31 5 ALA CA C 54.05 . 1 32 5 ALA CB C 18.55 . 1 33 5 ALA N N 124.48 . 1 34 6 SER H H 8.16 . 1 35 6 SER HA H 4.14 . 1 36 6 SER HB2 H 3.93 . 1 37 6 SER HB3 H 3.93 . 1 38 6 SER C C 176.17 . 1 39 6 SER CA C 61.55 . 1 40 6 SER CB C 62.75 . 1 41 6 SER N N 114.18 . 1 42 7 ASP H H 8.21 . 1 43 7 ASP HA H 4.42 . 1 44 7 ASP HB2 H 2.69 . 1 45 7 ASP HB3 H 2.69 . 1 46 7 ASP C C 178.57 . 1 47 7 ASP CA C 57.45 . 1 48 7 ASP CB C 41.05 . 1 49 7 ASP N N 121.08 . 1 50 8 ARG H H 7.99 . 1 51 8 ARG HA H 3.99 . 1 52 8 ARG HB2 H 1.87 . 1 53 8 ARG HB3 H 1.87 . 1 54 8 ARG C C 179.57 . 1 55 8 ARG CA C 59.85 . 1 56 8 ARG CB C 29.65 . 1 57 8 ARG N N 117.38 . 1 58 9 LEU H H 8.18 . 1 59 9 LEU HA H 4.28 . 1 60 9 LEU HB2 H 2.09 . 2 61 9 LEU HB3 H 1.47 . 2 62 9 LEU HG H 1.92 . 1 63 9 LEU HD1 H 0.91 . 2 64 9 LEU HD2 H 0.80 . 2 65 9 LEU C C 178.37 . 1 66 9 LEU CA C 57.95 . 1 67 9 LEU CB C 42.35 . 1 68 9 LEU CG C 27.75 . 1 69 9 LEU CD1 C 25.95 . 2 70 9 LEU CD2 C 23.35 . 2 71 9 LEU N N 120.28 . 1 72 10 LYS H H 8.18 . 1 73 10 LYS HA H 3.97 . 1 74 10 LYS HB2 H 2.00 . 1 75 10 LYS HB3 H 2.00 . 1 76 10 LYS C C 178.37 . 1 77 10 LYS CA C 60.15 . 1 78 10 LYS CB C 32.05 . 1 79 10 LYS CG C 25.85 . 1 80 10 LYS CD C 28.75 . 1 81 10 LYS CE C 42.15 . 1 82 10 LYS N N 121.08 . 1 83 11 LYS H H 7.88 . 1 84 11 LYS HA H 4.10 . 1 85 11 LYS HB2 H 1.87 . 1 86 11 LYS HB3 H 1.87 . 1 87 11 LYS HE2 H 2.96 . 9 88 11 LYS HE3 H 2.96 . 9 89 11 LYS C C 178.67 . 1 90 11 LYS CA C 59.25 . 1 91 11 LYS CB C 32.15 . 1 92 11 LYS CG C 25.75 . 1 93 11 LYS CD C 28.95 . 1 94 11 LYS CE C 42.55 . 1 95 11 LYS N N 116.88 . 1 96 12 ARG H H 7.47 . 1 97 12 ARG HA H 3.52 . 1 98 12 ARG HB2 H 1.88 . 1 99 12 ARG HB3 H 1.88 . 1 100 12 ARG C C 175.87 . 1 101 12 ARG CA C 58.25 . 1 102 12 ARG CB C 29.65 . 1 103 12 ARG N N 118.78 . 1 104 13 PHE H H 8.02 . 1 105 13 PHE HA H 3.21 . 1 106 13 PHE HB2 H 3.41 . 2 107 13 PHE HB3 H 2.85 . 2 108 13 PHE C C 175.07 . 1 109 13 PHE CA C 62.05 . 1 110 13 PHE CB C 38.35 . 1 111 13 PHE N N 118.68 . 1 112 14 ASP H H 7.73 . 1 113 14 ASP HA H 4.60 . 1 114 14 ASP HB2 H 3.31 . 2 115 14 ASP HB3 H 2.95 . 2 116 14 ASP C C 178.87 . 1 117 14 ASP CA C 57.05 . 1 118 14 ASP CB C 40.75 . 1 119 14 ASP N N 114.28 . 1 120 15 ARG H H 7.76 . 1 121 15 ARG HA H 3.86 . 1 122 15 ARG HB2 H 1.74 . 1 123 15 ARG HB3 H 1.74 . 1 124 15 ARG C C 177.57 . 1 125 15 ARG CA C 58.55 . 1 126 15 ARG CB C 30.45 . 1 127 15 ARG N N 117.38 . 1 128 16 TRP H H 7.88 . 1 129 16 TRP HA H 4.45 . 1 130 16 TRP HB2 H 2.94 . 2 131 16 TRP HB3 H 2.70 . 2 132 16 TRP C C 173.97 . 1 133 16 TRP CA C 55.65 . 1 134 16 TRP CB C 28.55 . 1 135 16 TRP N N 117.18 . 1 136 17 ASP H H 6.97 . 1 137 17 ASP HA H 4.56 . 1 138 17 ASP HB2 H 2.55 . 2 139 17 ASP HB3 H 1.74 . 2 140 17 ASP C C 177.47 . 1 141 17 ASP CA C 52.25 . 1 142 17 ASP CB C 37.85 . 1 143 17 ASP N N 116.28 . 1 144 18 PHE H H 8.18 . 1 145 18 PHE HA H 3.86 . 1 146 18 PHE HB2 H 3.06 . 2 147 18 PHE HB3 H 3.01 . 2 148 18 PHE C C 177.67 . 1 149 18 PHE CA C 62.45 . 1 150 18 PHE CB C 40.85 . 1 151 18 PHE N N 126.58 . 1 152 19 ASP H H 8.48 . 1 153 19 ASP HA H 4.56 . 1 154 19 ASP HB2 H 2.94 . 2 155 19 ASP HB3 H 2.61 . 2 156 19 ASP C C 177.37 . 1 157 19 ASP CA C 53.15 . 1 159 19 ASP N N 113.18 . 1 160 20 GLY H H 7.61 . 1 161 20 GLY HA2 H 3.77 . 1 162 20 GLY HA3 H 3.77 . 1 163 20 GLY C C 174.77 . 1 164 20 GLY CA C 47.55 . 1 165 20 GLY N N 108.68 . 1 166 21 ASN H H 8.28 . 1 167 21 ASN HA H 4.62 . 1 168 21 ASN HB2 H 3.14 . 2 169 21 ASN HB3 H 2.60 . 2 170 21 ASN HD21 H 8.45 . 2 171 21 ASN HD22 H 7.63 . 2 172 21 ASN C C 176.37 . 1 173 21 ASN CA C 53.05 . 1 175 21 ASN N N 117.18 . 1 176 21 ASN ND2 N 119.70 . 1 177 22 GLY H H 10.43 . 1 178 22 GLY HA2 H 3.69 . 2 179 22 GLY HA3 H 4.17 . 2 180 22 GLY C C 172.57 . 1 181 22 GLY CA C 45.85 . 1 182 22 GLY N N 113.28 . 1 183 23 ALA H H 7.63 . 1 184 23 ALA HA H 5.05 . 1 185 23 ALA HB H 1.27 . 1 186 23 ALA C C 175.27 . 1 187 23 ALA CA C 50.65 . 1 188 23 ALA CB C 21.95 . 1 189 23 ALA N N 120.68 . 1 190 24 LEU H H 9.54 . 1 191 24 LEU HA H 5.26 . 1 192 24 LEU HB2 H 1.87 . 2 193 24 LEU HB3 H 1.70 . 2 194 24 LEU HG H 1.23 . 1 195 24 LEU HD1 H 0.46 . 2 196 24 LEU HD2 H 0.57 . 2 197 24 LEU C C 175.27 . 1 198 24 LEU CA C 53.65 . 1 199 24 LEU CB C 43.85 . 1 200 24 LEU CG C 26.45 . 1 201 24 LEU CD1 C 26.35 . 2 202 24 LEU CD2 C 23.05 . 2 203 24 LEU N N 123.58 . 1 204 25 GLU H H 8.75 . 1 205 25 GLU HA H 4.80 . 1 206 25 GLU HB2 H 2.13 . 2 207 25 GLU HB3 H 1.89 . 2 208 25 GLU HG2 H 2.37 . 2 209 25 GLU HG3 H 2.16 . 2 210 25 GLU C C 176.87 . 1 211 25 GLU CA C 55.35 . 1 212 25 GLU CB C 32.55 . 1 213 25 GLU CG C 37.35 . 1 214 25 GLU N N 122.98 . 1 215 26 ARG H H 8.48 . 1 216 26 ARG HA H 2.70 . 1 217 26 ARG HB2 H 1.44 . 1 218 26 ARG HB3 H 1.44 . 1 219 26 ARG HG2 H 1.31 . 2 220 26 ARG HG3 H 1.25 . 2 221 26 ARG HD2 H 3.25 . 2 222 26 ARG HD3 H 3.05 . 2 223 26 ARG C C 179.37 . 1 224 26 ARG CA C 60.85 . 1 225 26 ARG CB C 29.95 . 1 226 26 ARG CG C 28.55 . 1 227 26 ARG CD C 42.95 . 1 228 26 ARG N N 125.68 . 1 229 27 ALA H H 8.17 . 1 230 27 ALA HA H 4.01 . 1 231 27 ALA HB H 1.30 . 1 232 27 ALA C C 179.97 . 1 233 27 ALA CA C 54.75 . 1 234 27 ALA CB C 18.75 . 1 235 27 ALA N N 116.48 . 1 236 28 ASP H H 7.43 . 1 237 28 ASP HA H 4.54 . 1 238 28 ASP HB2 H 3.97 . 2 239 28 ASP HB3 H 3.37 . 2 240 28 ASP C C 177.77 . 1 241 28 ASP CA C 58.35 . 1 242 28 ASP CB C 40.95 . 1 243 28 ASP N N 116.48 . 1 244 29 PHE H H 7.28 . 1 245 29 PHE HA H 3.91 . 1 246 29 PHE HB2 H 3.35 . 2 247 29 PHE HB3 H 2.93 . 2 248 29 PHE C C 177.77 . 1 249 29 PHE CA C 61.15 . 1 250 29 PHE CB C 37.95 . 1 251 29 PHE N N 118.78 . 1 252 30 GLU H H 7.98 . 1 253 30 GLU HA H 3.79 . 1 254 30 GLU HB2 H 2.00 . 1 255 30 GLU HB3 H 2.00 . 1 256 30 GLU HG2 H 2.32 . 2 257 30 GLU HG3 H 2.03 . 2 258 30 GLU C C 178.97 . 1 259 30 GLU CA C 60.55 . 1 260 30 GLU CB C 29.55 . 1 261 30 GLU CG C 36.75 . 1 262 30 GLU N N 118.18 . 1 263 31 LYS H H 7.92 . 1 264 31 LYS HA H 3.59 . 1 265 31 LYS HB2 H 1.28 . 2 266 31 LYS HB3 H 0.49 . 2 267 31 LYS HG2 H 0.96 . 1 268 31 LYS HG3 H 0.96 . 1 269 31 LYS HD2 H 1.39 . 1 270 31 LYS HD3 H 1.39 . 1 271 31 LYS HE2 H 2.77 . 2 272 31 LYS HE3 H 2.69 . 2 273 31 LYS C C 178.97 . 1 274 31 LYS CA C 59.15 . 1 275 31 LYS CB C 31.35 . 1 276 31 LYS CG C 26.05 . 1 277 31 LYS CD C 29.85 . 1 278 31 LYS CE C 42.45 . 1 279 31 LYS N N 118.88 . 1 280 32 GLU H H 7.94 . 1 281 32 GLU HA H 4.23 . 1 282 32 GLU HB2 H 1.27 . 1 283 32 GLU HB3 H 1.27 . 1 284 32 GLU C C 177.57 . 1 285 32 GLU CA C 57.55 . 1 286 32 GLU CB C 26.05 . 1 287 32 GLU N N 122.48 . 1 288 33 ALA H H 7.20 . 1 289 33 ALA HA H 3.43 . 1 290 33 ALA HB H 1.24 . 1 291 33 ALA C C 178.47 . 1 292 33 ALA CA C 54.85 . 1 293 33 ALA CB C 18.35 . 1 294 33 ALA N N 119.98 . 1 295 34 GLN H H 7.43 . 1 296 34 GLN HA H 3.69 . 1 297 34 GLN HB2 H 1.98 . 1 298 34 GLN HB3 H 1.98 . 1 299 34 GLN HG2 H 2.24 . 1 300 34 GLN HG3 H 2.24 . 1 301 34 GLN HE21 H 7.50 . 2 302 34 GLN HE22 H 6.58 . 2 303 34 GLN C C 177.07 . 1 304 34 GLN CA C 58.95 . 1 305 34 GLN CB C 28.05 . 1 306 34 GLN CG C 33.75 . 1 307 34 GLN N N 115.28 . 1 308 34 GLN NE2 N 112.10 . 1 309 35 HIS H H 8.30 . 1 310 35 HIS HA H 4.35 . 1 311 35 HIS HB2 H 3.46 . 2 312 35 HIS HB3 H 3.19 . 2 313 35 HIS C C 176.87 . 1 314 35 HIS CA C 58.85 . 1 315 35 HIS CB C 28.15 . 1 316 35 HIS N N 118.68 . 1 317 36 ILE H H 8.09 . 1 318 36 ILE HA H 3.26 . 1 319 36 ILE HB H 1.70 . 1 320 36 ILE HG12 H 0.94 . 1 321 36 ILE HG13 H 0.94 . 1 322 36 ILE HG2 H 0.63 . 1 323 36 ILE HD1 H 0.89 . 1 324 36 ILE C C 176.57 . 1 325 36 ILE CA C 65.15 . 1 326 36 ILE CB C 37.65 . 1 327 36 ILE CG1 C 28.85 . 1 328 36 ILE CG2 C 17.75 . 1 329 36 ILE CD1 C 13.75 . 1 330 36 ILE N N 119.88 . 1 331 37 ALA H H 7.76 . 1 332 37 ALA HA H 4.05 . 1 333 37 ALA HB H 1.33 . 1 334 37 ALA C C 179.57 . 1 335 37 ALA CA C 55.75 . 1 336 37 ALA CB C 19.55 . 1 337 37 ALA N N 119.58 . 1 338 38 GLU H H 8.26 . 1 339 38 GLU HA H 4.04 . 1 340 38 GLU HB2 H 2.10 . 2 341 38 GLU HB3 H 1.99 . 2 342 38 GLU HG2 H 2.46 . 2 343 38 GLU HG3 H 2.24 . 2 344 38 GLU C C 180.47 . 1 345 38 GLU CA C 59.15 . 1 346 38 GLU CB C 29.35 . 1 347 38 GLU CG C 36.65 . 1 348 38 GLU N N 116.88 . 1 349 39 ALA H H 8.00 . 1 350 39 ALA HA H 4.01 . 1 351 39 ALA HB H 1.19 . 1 352 39 ALA C C 179.17 . 1 353 39 ALA CA C 54.75 . 1 354 39 ALA CB C 17.05 . 1 355 39 ALA N N 124.38 . 1 356 40 PHE H H 7.65 . 1 357 40 PHE HA H 4.48 . 1 358 40 PHE HB2 H 3.29 . 2 359 40 PHE HB3 H 2.89 . 2 360 40 PHE C C 176.07 . 1 361 40 PHE CA C 57.55 . 1 363 40 PHE N N 113.88 . 1 364 41 GLY H H 8.02 . 1 365 41 GLY HA2 H 4.06 . 2 366 41 GLY HA3 H 3.86 . 2 367 41 GLY C C 174.87 . 1 368 41 GLY CA C 46.25 . 1 369 41 GLY N N 108.48 . 1 370 42 LYS H H 8.00 . 1 371 42 LYS HA H 4.43 . 1 372 42 LYS HB2 H 1.57 . 1 373 42 LYS HB3 H 1.57 . 1 374 42 LYS HG2 H 1.38 . 1 375 42 LYS HG3 H 1.38 . 1 376 42 LYS HD2 H 1.56 . 1 377 42 LYS HD3 H 1.56 . 1 378 42 LYS HE2 H 2.93 . 1 379 42 LYS HE3 H 2.93 . 1 380 42 LYS C C 175.47 . 1 381 42 LYS CA C 53.95 . 1 382 42 LYS CB C 33.25 . 1 383 42 LYS CG C 24.95 . 1 384 42 LYS CD C 28.05 . 1 385 42 LYS CE C 42.75 . 1 386 42 LYS N N 118.38 . 1 387 43 ASP H H 8.27 . 1 388 43 ASP HA H 4.46 . 1 389 43 ASP HB2 H 2.64 . 2 390 43 ASP HB3 H 2.58 . 2 391 43 ASP C C 176.17 . 1 392 43 ASP CA C 54.05 . 1 393 43 ASP CB C 42.85 . 1 394 43 ASP N N 121.18 . 1 395 44 ALA H H 8.28 . 1 396 44 ALA HA H 3.96 . 1 397 44 ALA HB H 1.33 . 1 398 44 ALA C C 177.87 . 1 399 44 ALA CA C 54.25 . 1 401 44 ALA N N 123.28 . 1 402 45 GLY H H 8.43 . 1 403 45 GLY HA2 H 4.07 . 2 404 45 GLY HA3 H 3.59 . 2 405 45 GLY C C 174.47 . 1 406 45 GLY CA C 44.75 . 1 407 45 GLY N N 103.48 . 1 408 46 ALA H H 7.67 . 1 409 46 ALA HA H 4.30 . 1 410 46 ALA HB H 1.60 . 1 411 46 ALA C C 179.47 . 1 412 46 ALA CA C 52.55 . 1 413 46 ALA CB C 19.05 . 1 414 46 ALA N N 123.18 . 1 415 47 ALA H H 8.98 . 1 416 47 ALA HA H 4.52 . 1 417 47 ALA HB H 1.40 . 1 418 47 ALA C C 180.27 . 1 419 47 ALA CA C 55.75 . 1 420 47 ALA CB C 18.55 . 1 421 47 ALA N N 127.08 . 1 422 48 GLU H H 10.05 . 1 423 48 GLU HA H 4.04 . 1 424 48 GLU C C 179.17 . 1 425 48 GLU CA C 59.85 . 1 426 48 GLU CB C 28.65 . 1 427 48 GLU CG C 36.75 . 1 428 48 GLU N N 115.58 . 1 429 49 VAL H H 7.44 . 1 430 49 VAL HA H 3.45 . 1 431 49 VAL HB H 2.24 . 1 432 49 VAL HG1 H 0.90 . 2 433 49 VAL HG2 H 0.81 . 2 434 49 VAL C C 177.27 . 1 435 49 VAL CA C 66.05 . 1 436 49 VAL CB C 30.95 . 1 437 49 VAL CG1 C 24.35 . 2 438 49 VAL CG2 C 21.35 . 2 439 49 VAL N N 120.18 . 1 440 50 GLN H H 7.60 . 1 441 50 GLN HA H 3.90 . 1 442 50 GLN HB2 H 2.17 . 1 443 50 GLN HB3 H 2.17 . 1 444 50 GLN HG2 H 2.35 . 1 445 50 GLN HG3 H 2.35 . 1 446 50 GLN HE21 H 7.23 . 2 447 50 GLN HE22 H 6.89 . 2 448 50 GLN C C 178.57 . 1 449 50 GLN CA C 58.95 . 1 450 50 GLN CB C 27.65 . 1 451 50 GLN CG C 33.55 . 1 452 50 GLN N N 120.18 . 1 453 50 GLN NE2 N 114.30 . 1 454 51 THR H H 8.19 . 1 455 51 THR HA H 3.92 . 1 456 51 THR HB H 4.12 . 1 457 51 THR HG2 H 1.20 . 1 458 51 THR C C 176.57 . 1 459 51 THR CA C 66.65 . 1 460 51 THR CB C 68.45 . 1 461 51 THR CG2 C 22.15 . 1 462 51 THR N N 115.08 . 1 463 52 LEU H H 7.47 . 1 464 52 LEU HA H 4.11 . 1 465 52 LEU HB2 H 1.99 . 2 466 52 LEU HB3 H 1.40 . 2 467 52 LEU HD1 H 0.91 . 2 468 52 LEU HD2 H 0.98 . 2 469 52 LEU C C 178.27 . 1 470 52 LEU CA C 58.25 . 1 471 52 LEU CB C 42.15 . 1 472 52 LEU CD1 C 26.55 . 2 473 52 LEU CD2 C 24.25 . 2 474 52 LEU N N 122.88 . 1 475 53 LYS H H 8.77 . 1 476 53 LYS HA H 3.77 . 1 477 53 LYS HB2 H 1.88 . 1 478 53 LYS HB3 H 1.88 . 1 479 53 LYS HG2 H 1.55 . 2 480 53 LYS HG3 H 1.38 . 2 481 53 LYS HD2 H 1.60 . 1 482 53 LYS HD3 H 1.60 . 1 483 53 LYS HE2 H 2.85 . 2 484 53 LYS HE3 H 2.73 . 2 485 53 LYS C C 179.17 . 1 486 53 LYS CA C 61.15 . 1 487 53 LYS CB C 32.35 . 1 488 53 LYS CG C 26.15 . 1 489 53 LYS CD C 29.85 . 1 490 53 LYS CE C 41.95 . 1 491 53 LYS N N 119.88 . 1 492 54 ASN H H 8.45 . 1 493 54 ASN HA H 4.53 . 1 494 54 ASN HB2 H 2.96 . 2 495 54 ASN HB3 H 2.87 . 2 496 54 ASN HD21 H 7.51 . 2 497 54 ASN HD22 H 6.90 . 2 498 54 ASN C C 178.27 . 1 499 54 ASN CA C 55.85 . 1 500 54 ASN CB C 37.75 . 1 501 54 ASN N N 118.08 . 1 502 54 ASN ND2 N 112.40 . 1 503 55 ALA H H 8.19 . 1 504 55 ALA HA H 4.17 . 1 505 55 ALA HB H 1.37 . 1 506 55 ALA C C 180.67 . 9 507 55 ALA CA C 54.85 . 1 508 55 ALA CB C 17.75 . 1 509 55 ALA N N 123.78 . 1 510 56 PHE H H 8.79 . 1 511 56 PHE HA H 4.10 . 1 512 56 PHE HB2 H 3.07 . 2 513 56 PHE HB3 H 2.94 . 2 514 56 PHE C C 178.77 . 9 515 56 PHE CA C 62.75 . 1 517 56 PHE N N 119.38 . 1 518 57 GLY H H 8.77 . 1 519 57 GLY HA2 H 3.95 . 2 520 57 GLY HA3 H 3.78 . 2 521 57 GLY C C 175.27 . 1 522 57 GLY CA C 47.45 . 1 523 57 GLY N N 107.38 . 1 524 58 GLY H H 8.18 . 1 525 58 GLY HA2 H 4.04 . 2 526 58 GLY HA3 H 3.94 . 2 527 58 GLY C C 176.57 . 1 528 58 GLY CA C 46.85 . 1 529 58 GLY N N 107.28 . 1 530 59 LEU H H 7.72 . 1 531 59 LEU HA H 4.30 . 1 532 59 LEU HB2 H 2.33 . 1 533 59 LEU HB3 H 2.33 . 1 534 59 LEU C C 177.57 . 1 535 59 LEU CA C 58.05 . 1 536 59 LEU CB C 41.45 . 1 537 59 LEU N N 124.18 . 1 538 60 PHE H H 8.02 . 1 539 60 PHE HA H 3.34 . 1 540 60 PHE HB2 H 3.16 . 2 541 60 PHE HB3 H 2.34 . 2 542 60 PHE C C 175.87 . 1 543 60 PHE CA C 63.25 . 1 544 60 PHE CB C 37.65 . 1 545 60 PHE N N 119.18 . 1 546 61 ASP H H 8.60 . 1 547 61 ASP HA H 4.14 . 1 548 61 ASP HB2 H 2.88 . 2 549 61 ASP HB3 H 2.66 . 2 550 61 ASP C C 178.87 . 1 551 61 ASP CA C 57.85 . 1 552 61 ASP CB C 40.25 . 1 553 61 ASP N N 117.08 . 1 554 62 TYR H H 7.77 . 1 555 62 TYR HA H 4.04 . 1 556 62 TYR HB2 H 3.18 . 2 557 62 TYR HB3 H 3.14 . 2 558 62 TYR C C 176.37 . 1 559 62 TYR CA C 62.05 . 1 560 62 TYR CB C 38.45 . 1 561 62 TYR N N 119.58 . 1 562 63 LEU H H 8.00 . 1 563 63 LEU HA H 3.56 . 1 564 63 LEU HB2 H 1.72 . 2 565 63 LEU HB3 H 1.19 . 2 566 63 LEU HG H 2.18 . 1 567 63 LEU HD1 H 1.07 . 2 568 63 LEU HD2 H 0.84 . 2 569 63 LEU C C 178.17 . 1 570 63 LEU CA C 57.85 . 1 571 63 LEU CB C 41.95 . 1 572 63 LEU CG C 26.35 . 1 573 63 LEU CD1 C 26.65 . 2 574 63 LEU CD2 C 22.25 . 2 575 63 LEU N N 118.78 . 1 576 64 ALA H H 8.89 . 1 577 64 ALA HA H 3.55 . 1 578 64 ALA HB H 0.75 . 1 579 64 ALA C C 179.97 . 1 580 64 ALA CA C 55.05 . 1 581 64 ALA CB C 17.55 . 1 582 64 ALA N N 118.68 . 1 583 65 LYS H H 7.63 . 1 584 65 LYS HA H 3.99 . 1 585 65 LYS HB2 H 1.87 . 1 586 65 LYS HB3 H 1.87 . 1 587 65 LYS HG2 H 1.40 . 2 588 65 LYS HG3 H 1.32 . 2 589 65 LYS HD2 H 1.61 . 1 590 65 LYS HD3 H 1.61 . 1 591 65 LYS HE2 H 2.92 . 1 592 65 LYS HE3 H 2.92 . 1 593 65 LYS C C 180.57 . 1 594 65 LYS CA C 59.25 . 1 595 65 LYS CB C 31.55 . 1 596 65 LYS CG C 24.65 . 1 597 65 LYS CD C 29.05 . 1 598 65 LYS CE C 42.15 . 1 599 65 LYS N N 118.58 . 1 600 66 GLU H H 7.77 . 1 601 66 GLU HA H 3.81 . 1 602 66 GLU HB2 H 1.92 . 2 603 66 GLU HB3 H 1.71 . 4 604 66 GLU HG2 H 1.86 . 2 605 66 GLU HG3 H 1.74 . 4 606 66 GLU C C 178.27 . 1 607 66 GLU CA C 58.35 . 1 608 66 GLU CB C 29.65 . 1 609 66 GLU CG C 35.55 . 1 610 66 GLU N N 118.68 . 1 611 67 ALA H H 8.05 . 1 612 67 ALA HA H 4.16 . 1 613 67 ALA HB H 1.33 . 1 614 67 ALA C C 177.17 . 1 615 67 ALA CA C 52.45 . 1 617 67 ALA N N 118.68 . 1 618 68 GLY H H 7.72 . 1 619 68 GLY HA2 H 4.08 . 2 620 68 GLY HA3 H 3.80 . 2 621 68 GLY C C 174.77 . 1 622 68 GLY CA C 45.95 . 1 623 68 GLY N N 105.98 . 1 624 69 VAL H H 7.84 . 1 625 69 VAL HA H 4.40 . 1 626 69 VAL HB H 2.24 . 1 627 69 VAL HG1 H 1.07 . 2 628 69 VAL HG2 H 0.90 . 2 629 69 VAL C C 175.77 . 1 630 69 VAL CA C 61.05 . 1 632 69 VAL CG1 C 21.35 . 2 633 69 VAL CG2 C 19.45 . 2 634 69 VAL N N 114.58 . 1 635 70 GLY H H 7.88 . 1 636 70 GLY HA2 H 4.13 . 2 637 70 GLY HA3 H 4.00 . 2 638 70 GLY C C 174.47 . 1 639 70 GLY CA C 44.65 . 1 640 70 GLY N N 108.18 . 1 641 71 SER H H 8.41 . 1 642 71 SER HA H 4.19 . 1 643 71 SER HB2 H 3.92 . 1 644 71 SER HB3 H 3.92 . 1 645 71 SER C C 174.87 . 1 646 71 SER CA C 61.95 . 1 647 71 SER CB C 63.45 . 1 648 71 SER N N 113.78 . 1 649 72 ASP H H 8.53 . 1 650 72 ASP HA H 4.80 . 1 651 72 ASP HB2 H 2.77 . 2 652 72 ASP HB3 H 2.71 . 2 653 72 ASP C C 176.47 . 1 654 72 ASP CA C 53.45 . 1 656 72 ASP N N 117.58 . 1 657 73 GLY H H 7.82 . 1 658 73 GLY HA2 H 4.42 . 2 659 73 GLY HA3 H 3.73 . 2 660 73 GLY C C 172.07 . 1 661 73 GLY CA C 44.65 . 1 662 73 GLY N N 107.88 . 1 663 74 SER H H 8.07 . 1 664 74 SER HA H 5.33 . 1 665 74 SER HB2 H 3.76 . 2 666 74 SER HB3 H 3.51 . 2 667 74 SER C C 172.67 . 1 668 74 SER CA C 57.25 . 1 669 74 SER CB C 66.05 . 1 670 74 SER N N 112.28 . 1 671 75 LEU H H 9.48 . 1 672 75 LEU HA H 5.15 . 1 673 75 LEU HB2 H 1.98 . 2 674 75 LEU HB3 H 1.82 . 2 675 75 LEU HG H 1.74 . 1 676 75 LEU HD1 H 0.79 . 2 677 75 LEU HD2 H 0.72 . 2 678 75 LEU C C 177.67 . 1 679 75 LEU CA C 53.95 . 1 680 75 LEU CB C 45.25 . 1 681 75 LEU CG C 27.55 . 1 682 75 LEU CD1 C 26.75 . 2 683 75 LEU CD2 C 25.55 . 2 684 75 LEU N N 121.28 . 1 685 76 THR H H 8.83 . 1 686 76 THR HA H 4.68 . 1 687 76 THR HB H 4.77 . 1 688 76 THR HG2 H 1.37 . 1 689 76 THR C C 174.87 . 1 690 76 THR CA C 60.65 . 1 691 76 THR CB C 71.45 . 1 692 76 THR CG2 C 21.75 . 1 693 76 THR N N 112.98 . 1 694 77 GLU H H 8.79 . 1 695 77 GLU C C 177.57 . 1 696 77 GLU CA C 60.55 . 1 697 77 GLU CB C 29.65 . 1 698 77 GLU CG C 35.85 . 1 699 77 GLU N N 122.48 . 1 700 78 GLU H H 8.31 . 1 701 78 GLU HA H 3.87 . 1 702 78 GLU HB2 H 2.02 . 2 703 78 GLU HB3 H 1.90 . 2 704 78 GLU HG2 H 2.28 . 2 705 78 GLU HG3 H 2.23 . 2 706 78 GLU C C 179.47 . 1 707 78 GLU CA C 59.85 . 1 708 78 GLU CB C 29.35 . 1 709 78 GLU CG C 36.25 . 1 710 78 GLU N N 116.18 . 1 711 79 GLN H H 7.53 . 1 712 79 GLN HA H 3.99 . 1 713 79 GLN HB2 H 2.47 . 2 714 79 GLN HB3 H 1.75 . 2 715 79 GLN HE21 H 7.37 . 2 716 79 GLN HE22 H 6.24 . 2 717 79 GLN C C 177.67 . 1 718 79 GLN CA C 58.95 . 1 719 79 GLN CB C 29.45 . 1 720 79 GLN CG C 34.45 . 1 721 79 GLN N N 117.18 . 1 722 79 GLN NE2 N 109.80 . 1 723 80 PHE H H 8.91 . 1 724 80 PHE HA H 4.11 . 1 725 80 PHE HB2 H 3.41 . 2 726 80 PHE HB3 H 3.28 . 2 727 80 PHE C C 177.97 . 1 728 80 PHE CA C 61.95 . 1 729 80 PHE CB C 40.35 . 1 730 80 PHE N N 117.88 . 1 731 81 ILE H H 8.82 . 1 732 81 ILE HA H 3.37 . 1 733 81 ILE HB H 1.87 . 1 734 81 ILE HG12 H 1.87 . 2 735 81 ILE HG13 H 1.08 . 2 736 81 ILE HG2 H 0.83 . 1 737 81 ILE HD1 H 0.83 . 1 738 81 ILE C C 176.47 . 1 739 81 ILE CA C 65.85 . 1 740 81 ILE CB C 37.65 . 1 741 81 ILE CG1 C 29.55 . 1 742 81 ILE CG2 C 16.95 . 1 743 81 ILE CD1 C 13.55 . 1 744 81 ILE N N 120.38 . 1 745 82 ARG H H 7.89 . 1 746 82 ARG HA H 4.04 . 1 747 82 ARG HD2 H 3.22 . 1 748 82 ARG HD3 H 3.22 . 1 749 82 ARG C C 179.57 . 1 750 82 ARG CA C 59.85 . 1 751 82 ARG CB C 30.25 . 1 752 82 ARG CG C 26.85 . 1 753 82 ARG CD C 43.45 . 1 754 82 ARG N N 118.48 . 1 755 83 VAL H H 8.37 . 1 756 83 VAL HA H 3.91 . 1 757 83 VAL HB H 2.06 . 1 758 83 VAL HG1 H 0.98 . 2 759 83 VAL HG2 H 1.09 . 2 760 83 VAL C C 178.87 . 1 761 83 VAL CA C 65.75 . 1 762 83 VAL CB C 31.65 . 1 763 83 VAL CG1 C 22.55 . 2 764 83 VAL CG2 C 21.45 . 2 765 83 VAL N N 114.28 . 1 766 84 THR H H 7.85 . 1 767 84 THR HA H 3.68 . 1 768 84 THR HB H 4.04 . 1 769 84 THR HG2 H 1.14 . 1 770 84 THR C C 176.47 . 1 771 84 THR CA C 61.55 . 1 772 84 THR CB C 68.85 . 1 773 84 THR CG2 C 20.85 . 1 774 84 THR N N 116.18 . 1 775 85 GLU H H 8.74 . 1 776 85 GLU HA H 3.80 . 1 777 85 GLU HB2 H 2.22 . 2 778 85 GLU HB3 H 2.08 . 2 779 85 GLU HG2 H 2.52 . 2 780 85 GLU HG3 H 2.07 . 2 781 85 GLU C C 178.37 . 1 782 85 GLU CA C 60.45 . 1 783 85 GLU CB C 28.85 . 1 784 85 GLU CG C 37.05 . 1 785 85 GLU N N 121.18 . 1 786 86 ASN H H 7.72 . 1 787 86 ASN HA H 4.41 . 1 788 86 ASN HB2 H 2.93 . 2 789 86 ASN HB3 H 2.83 . 2 790 86 ASN HD21 H 7.80 . 2 791 86 ASN HD22 H 6.85 . 2 792 86 ASN C C 176.97 . 1 793 86 ASN CA C 56.85 . 1 794 86 ASN CB C 39.05 . 1 795 86 ASN N N 116.48 . 1 796 86 ASN ND2 N 113.40 . 1 797 87 LEU H H 7.69 . 1 798 87 LEU HA H 4.04 . 1 799 87 LEU HB2 H 1.99 . 2 800 87 LEU HB3 H 1.74 . 2 801 87 LEU HG H 1.55 . 1 802 87 LEU HD1 H 0.67 . 2 803 87 LEU HD2 H 0.71 . 2 804 87 LEU C C 176.77 . 1 805 87 LEU CA C 58.05 . 1 806 87 LEU CB C 42.55 . 1 807 87 LEU CG C 27.55 . 1 808 87 LEU CD1 C 24.95 . 2 809 87 LEU CD2 C 22.65 . 2 810 87 LEU N N 119.38 . 1 811 88 ILE H H 7.97 . 1 812 88 ILE HA H 3.49 . 1 813 88 ILE HB H 1.26 . 1 814 88 ILE HG12 H 1.38 . 2 815 88 ILE HG13 H 0.80 . 2 816 88 ILE HG2 H 0.03 . 1 817 88 ILE HD1 H 0.27 . 1 818 88 ILE C C 176.77 . 1 819 88 ILE CA C 64.35 . 1 820 88 ILE CB C 38.45 . 1 821 88 ILE CG1 C 28.75 . 1 822 88 ILE CG2 C 17.55 . 1 823 88 ILE CD1 C 13.15 . 1 824 88 ILE N N 113.48 . 1 825 89 PHE H H 8.25 . 1 826 89 PHE HA H 4.64 . 1 827 89 PHE HB2 H 3.24 . 2 828 89 PHE HB3 H 3.06 . 2 829 89 PHE C C 177.17 . 1 830 89 PHE CA C 59.35 . 1 831 89 PHE CB C 39.35 . 1 832 89 PHE N N 113.68 . 1 833 90 GLU H H 7.85 . 1 834 90 GLU HA H 4.61 . 1 835 90 GLU HB2 H 2.26 . 1 836 90 GLU HB3 H 2.26 . 1 837 90 GLU HG2 H 2.35 . 1 838 90 GLU HG3 H 2.35 . 1 839 90 GLU C C 177.17 . 1 840 90 GLU CA C 57.25 . 1 841 90 GLU CB C 30.55 . 1 842 90 GLU CG C 36.15 . 1 843 90 GLU N N 116.88 . 1 844 91 GLN H H 7.78 . 1 845 91 GLN HA H 4.37 . 1 846 91 GLN HB2 H 2.31 . 1 847 91 GLN HB3 H 2.31 . 1 848 91 GLN HG2 H 2.44 . 2 849 91 GLN HG3 H 2.38 . 2 850 91 GLN HE21 H 7.50 . 2 851 91 GLN HE22 H 6.70 . 2 852 91 GLN C C 176.77 . 1 853 91 GLN CA C 56.65 . 1 855 91 GLN CG C 34.35 . 1 856 91 GLN N N 117.38 . 1 857 91 GLN NE2 N 113.30 . 1 858 92 GLY H H 8.24 . 1 859 92 GLY HA2 H 4.15 . 2 860 92 GLY HA3 H 4.01 . 2 861 92 GLY C C 174.67 . 1 862 92 GLY CA C 45.05 . 1 863 92 GLY N N 107.18 . 1 864 93 GLU H H 8.65 . 1 865 93 GLU HA H 3.91 . 1 866 93 GLU HB2 H 2.02 . 1 867 93 GLU HB3 H 2.02 . 1 868 93 GLU C C 177.07 . 1 869 93 GLU CA C 59.75 . 1 870 93 GLU CB C 29.85 . 1 871 93 GLU CG C 36.25 . 1 872 93 GLU N N 120.38 . 1 873 94 ALA H H 8.42 . 1 874 94 ALA HA H 4.18 . 1 875 94 ALA HB H 1.42 . 1 876 94 ALA C C 180.47 . 1 877 94 ALA CA C 55.15 . 1 878 94 ALA CB C 18.15 . 1 879 94 ALA N N 120.38 . 1 880 95 SER H H 7.97 . 1 881 95 SER HA H 4.20 . 1 882 95 SER HB2 H 3.91 . 2 883 95 SER HB3 H 3.78 . 2 884 95 SER C C 174.97 . 1 885 95 SER CA C 61.25 . 1 886 95 SER CB C 63.05 . 1 887 95 SER N N 113.98 . 1 888 96 PHE H H 8.01 . 1 889 96 PHE HA H 3.72 . 1 890 96 PHE HB2 H 3.20 . 2 891 96 PHE HB3 H 3.13 . 2 892 96 PHE C C 176.77 . 1 893 96 PHE CA C 62.15 . 1 894 96 PHE CB C 39.25 . 1 895 96 PHE N N 121.98 . 1 896 97 ASN H H 8.71 . 1 897 97 ASN HA H 4.20 . 1 898 97 ASN HB2 H 2.88 . 2 899 97 ASN HB3 H 2.69 . 2 900 97 ASN HD21 H 7.22 . 2 901 97 ASN HD22 H 6.70 . 2 902 97 ASN C C 178.67 . 1 903 97 ASN CA C 55.95 . 1 904 97 ASN CB C 37.45 . 1 905 97 ASN N N 117.08 . 1 906 97 ASN ND2 N 108.80 . 1 907 98 ARG H H 7.78 . 1 908 98 ARG HA H 3.99 . 1 909 98 ARG HB2 H 1.89 . 1 910 98 ARG HB3 H 1.89 . 1 911 98 ARG HG2 H 1.69 . 2 912 98 ARG HG3 H 1.53 . 2 913 98 ARG HD2 H 3.20 . 1 914 98 ARG HD3 H 3.20 . 1 915 98 ARG C C 177.27 . 1 916 98 ARG CA C 59.15 . 1 917 98 ARG CB C 30.25 . 1 918 98 ARG CG C 27.55 . 1 919 98 ARG CD C 43.45 . 1 920 98 ARG N N 120.08 . 1 921 99 VAL H H 7.41 . 1 922 99 VAL HA H 3.65 . 1 923 99 VAL HB H 1.47 . 1 924 99 VAL HG1 H 0.39 . 2 925 99 VAL HG2 H 0.29 . 2 926 99 VAL C C 176.57 . 1 927 99 VAL CA C 64.65 . 1 928 99 VAL CB C 31.95 . 1 929 99 VAL CG1 C 21.25 . 1 930 99 VAL CG2 C 21.25 . 1 931 99 VAL N N 115.58 . 1 932 100 LEU H H 8.08 . 1 933 100 LEU HA H 4.17 . 1 934 100 LEU HB2 H 1.09 . 1 935 100 LEU HB3 H 1.09 . 1 936 100 LEU HG H 1.35 . 1 937 100 LEU HD1 H 0.55 . 2 938 100 LEU HD2 H 0.43 . 2 940 100 LEU CA C 53.85 . 1 942 100 LEU CG C 28.35 . 1 943 100 LEU CD1 C 23.85 . 2 944 100 LEU CD2 C 23.35 . 2 945 100 LEU N N 117.58 . 1 946 101 GLY H H 7.77 . 1 947 101 GLY HA2 H 4.29 . 2 948 101 GLY HA3 H 3.70 . 2 949 101 GLY CA C 49.35 . 1 951 102 PRO HA H 4.11 . 1 952 102 PRO HB2 H 2.35 . 2 953 102 PRO HB3 H 1.86 . 2 954 102 PRO HG2 H 2.09 . 1 955 102 PRO HG3 H 2.09 . 1 956 102 PRO HD2 H 3.49 . 2 957 102 PRO HD3 H 3.36 . 2 958 102 PRO C C 179.47 . 1 959 102 PRO CA C 65.45 . 1 960 102 PRO CB C 32.25 . 1 961 102 PRO CG C 28.35 . 1 962 102 PRO CD C 51.35 . 1 963 103 VAL H H 6.89 . 1 964 103 VAL HA H 3.27 . 1 965 103 VAL HB H 2.09 . 1 966 103 VAL HG1 H 0.56 . 2 967 103 VAL HG2 H 0.46 . 2 968 103 VAL C C 176.37 . 1 969 103 VAL CA C 65.85 . 1 970 103 VAL CB C 31.65 . 1 971 103 VAL CG1 C 22.35 . 2 972 103 VAL CG2 C 21.45 . 2 973 103 VAL N N 115.48 . 1 974 104 VAL H H 7.83 . 1 975 104 VAL HA H 3.43 . 1 976 104 VAL HB H 1.99 . 1 977 104 VAL HG1 H 0.98 . 1 978 104 VAL HG2 H 0.98 . 1 979 104 VAL C C 177.67 . 1 980 104 VAL CA C 67.45 . 1 981 104 VAL CB C 31.55 . 1 982 104 VAL CG1 C 23.75 . 1 983 104 VAL CG2 C 23.75 . 1 984 104 VAL N N 117.88 . 1 985 105 LYS H H 8.98 . 1 986 105 LYS HA H 3.71 . 1 987 105 LYS HB2 H 1.74 . 1 988 105 LYS HB3 H 1.74 . 1 989 105 LYS HG2 H 1.42 . 1 990 105 LYS HG3 H 1.42 . 1 991 105 LYS HD2 H 1.56 . 1 992 105 LYS HD3 H 1.56 . 1 993 105 LYS HE2 H 2.87 . 1 994 105 LYS HE3 H 2.87 . 1 995 105 LYS C C 179.07 . 1 996 105 LYS CA C 60.15 . 1 998 105 LYS CG C 25.95 . 1 999 105 LYS CD C 29.45 . 1 1000 105 LYS CE C 42.05 . 1 1001 105 LYS N N 118.48 . 1 1002 106 GLY H H 7.73 . 1 1003 106 GLY HA2 H 3.80 . 2 1004 106 GLY HA3 H 3.38 . 2 1005 106 GLY C C 175.47 . 1 1006 106 GLY CA C 46.45 . 1 1007 106 GLY N N 106.48 . 1 1008 107 ILE H H 7.78 . 1 1009 107 ILE HA H 3.29 . 1 1010 107 ILE HB H 1.48 . 1 1011 107 ILE HG12 H 1.91 . 2 1012 107 ILE HG13 H 0.65 . 2 1013 107 ILE HG2 H -0.20 . 1 1014 107 ILE HD1 H 0.93 . 1 1015 107 ILE C C 178.07 . 1 1016 107 ILE CA C 66.05 . 1 1017 107 ILE CB C 37.75 . 1 1018 107 ILE CG1 C 29.65 . 1 1019 107 ILE CG2 C 16.75 . 1 1020 107 ILE CD1 C 13.95 . 1 1021 107 ILE N N 123.38 . 1 1022 108 VAL H H 8.43 . 1 1023 108 VAL HA H 3.17 . 1 1024 108 VAL HB H 2.15 . 1 1025 108 VAL HG1 H 0.97 . 2 1026 108 VAL HG2 H 0.71 . 2 1027 108 VAL C C 177.77 . 1 1028 108 VAL CA C 67.15 . 1 1030 108 VAL CG1 C 24.35 . 2 1031 108 VAL CG2 C 20.05 . 2 1032 108 VAL N N 121.08 . 1 1033 109 GLY H H 7.90 . 1 1034 109 GLY HA2 H 3.86 . 2 1035 109 GLY HA3 H 3.79 . 2 1036 109 GLY C C 175.27 . 1 1037 109 GLY CA C 46.75 . 1 1038 109 GLY N N 101.88 . 1 1039 110 MET H H 7.28 . 1 1040 110 MET HA H 4.11 . 1 1041 110 MET HB2 H 1.80 . 2 1042 110 MET HB3 H 1.37 . 2 1043 110 MET HG2 H 2.42 . 2 1044 110 MET HG3 H 2.32 . 2 1045 110 MET C C 176.07 . 1 1046 110 MET CA C 56.85 . 1 1047 110 MET CB C 33.65 . 1 1048 110 MET CG C 32.95 . 1 1049 110 MET N N 115.68 . 1 1050 111 CYS H H 7.31 . 1 1051 111 CYS HA H 4.36 . 1 1052 111 CYS HB2 H 2.65 . 2 1053 111 CYS HB3 H 2.57 . 2 1054 111 CYS C C 173.97 . 1 1055 111 CYS CA C 58.35 . 1 1056 111 CYS CB C 29.25 . 1 1057 111 CYS N N 112.68 . 1 1058 112 ASP H H 7.88 . 1 1059 112 ASP HA H 4.43 . 1 1060 112 ASP HB2 H 2.71 . 2 1061 112 ASP HB3 H 2.64 . 2 1062 112 ASP C C 176.77 . 1 1063 112 ASP CA C 54.35 . 1 1064 112 ASP CB C 40.15 . 1 1065 112 ASP N N 120.08 . 1 1066 113 LYS H H 8.74 . 1 1067 113 LYS HA H 4.30 . 1 1068 113 LYS HB2 H 1.94 . 1 1069 113 LYS HB3 H 1.94 . 1 1070 113 LYS HG2 H 1.53 . 1 1071 113 LYS HG3 H 1.53 . 1 1072 113 LYS HD2 H 1.70 . 1 1073 113 LYS HD3 H 1.70 . 1 1074 113 LYS HE2 H 3.02 . 1 1075 113 LYS HE3 H 3.02 . 1 1076 113 LYS C C 177.17 . 1 1077 113 LYS CA C 57.45 . 1 1078 113 LYS CB C 33.55 . 1 1079 113 LYS CG C 24.85 . 1 1080 113 LYS CD C 28.85 . 1 1081 113 LYS CE C 42.65 . 1 1082 113 LYS N N 127.68 . 1 1083 114 ASN H H 7.94 . 1 1084 114 ASN HA H 4.79 . 1 1085 114 ASN HB2 H 3.27 . 2 1086 114 ASN HB3 H 2.70 . 2 1087 114 ASN HD21 H 7.77 . 2 1088 114 ASN HD22 H 6.75 . 2 1089 114 ASN C C 174.17 . 1 1090 114 ASN CA C 51.95 . 1 1091 114 ASN CB C 36.55 . 1 1092 114 ASN N N 114.18 . 1 1093 114 ASN ND2 N 113.60 . 1 1094 115 ALA H H 7.69 . 1 1095 115 ALA HA H 3.97 . 1 1096 115 ALA HB H 1.30 . 1 1097 115 ALA C C 175.77 . 1 1098 115 ALA CA C 53.65 . 1 1099 115 ALA CB C 16.85 . 1 1100 115 ALA N N 118.58 . 1 1101 116 ASP H H 8.27 . 1 1102 116 ASP HA H 4.71 . 1 1103 116 ASP HB2 H 2.97 . 2 1104 116 ASP HB3 H 2.42 . 2 1105 116 ASP C C 178.37 . 1 1106 116 ASP CA C 52.95 . 1 1108 116 ASP N N 116.48 . 1 1109 117 GLY H H 10.27 . 1 1110 117 GLY HA2 H 3.99 . 1 1111 117 GLY HA3 H 3.39 . 1 1112 117 GLY C C 172.57 . 1 1113 117 GLY CA C 46.05 . 1 1114 117 GLY N N 112.58 . 1 1115 118 GLN H H 7.92 . 1 1116 118 GLN HA H 4.84 . 1 1117 118 GLN HB2 H 1.91 . 2 1118 118 GLN HB3 H 1.70 . 2 1119 118 GLN HG2 H 2.25 . 2 1120 118 GLN HG3 H 1.91 . 2 1121 118 GLN HE21 H 6.84 . 2 1122 118 GLN HE22 H 6.53 . 2 1123 118 GLN C C 174.77 . 1 1124 118 GLN CA C 52.75 . 1 1125 118 GLN CB C 31.55 . 1 1126 118 GLN CG C 32.85 . 1 1127 118 GLN N N 115.58 . 1 1128 118 GLN NE2 N 110.00 . 1 1129 119 ILE H H 8.93 . 1 1130 119 ILE HA H 5.50 . 1 1131 119 ILE HB H 2.34 . 1 1132 119 ILE HG12 H 1.59 . 1 1133 119 ILE HG13 H 1.59 . 1 1134 119 ILE HG2 H 1.43 . 1 1135 119 ILE HD1 H 0.93 . 1 1136 119 ILE C C 174.97 . 1 1137 119 ILE CA C 56.75 . 1 1138 119 ILE CB C 38.55 . 1 1139 119 ILE CG1 C 27.15 . 1 1140 119 ILE CG2 C 18.45 . 1 1141 119 ILE CD1 C 10.45 . 1 1142 119 ILE N N 125.28 . 1 1143 120 ASN H H 9.27 . 1 1144 120 ASN HA H 5.09 . 1 1145 120 ASN HB2 H 3.46 . 2 1146 120 ASN HB3 H 3.32 . 2 1147 120 ASN HD21 H 7.70 . 2 1148 120 ASN HD22 H 6.86 . 2 1149 120 ASN C C 175.87 . 1 1150 120 ASN CA C 51.75 . 1 1151 120 ASN CB C 38.35 . 1 1152 120 ASN N N 127.18 . 1 1153 120 ASN ND2 N 112.50 . 1 1154 121 ALA H H 8.42 . 1 1155 121 ALA HA H 3.35 . 1 1156 121 ALA HB H 0.69 . 1 1157 121 ALA C C 180.47 . 1 1158 121 ALA CA C 56.45 . 1 1159 121 ALA CB C 17.45 . 1 1160 121 ALA N N 119.48 . 1 1161 122 ASP H H 7.85 . 1 1162 122 ASP HA H 4.45 . 1 1163 122 ASP HB2 H 2.69 . 1 1164 122 ASP HB3 H 2.69 . 1 1165 122 ASP C C 179.67 . 1 1166 122 ASP CA C 57.45 . 1 1167 122 ASP CB C 41.05 . 1 1168 122 ASP N N 118.98 . 1 1169 123 GLU H H 8.77 . 1 1170 123 GLU HA H 4.23 . 1 1171 123 GLU HB2 H 2.60 . 2 1172 123 GLU HB3 H 2.25 . 2 1173 123 GLU HG2 H 2.87 . 2 1174 123 GLU HG3 H 2.60 . 2 1175 123 GLU C C 178.87 . 1 1176 123 GLU CA C 58.55 . 1 1177 123 GLU CB C 29.85 . 1 1178 123 GLU CG C 36.65 . 1 1179 123 GLU N N 122.38 . 1 1180 124 PHE H H 9.31 . 1 1181 124 PHE HA H 4.53 . 1 1182 124 PHE HB2 H 3.41 . 2 1183 124 PHE HB3 H 3.16 . 2 1184 124 PHE C C 177.27 . 1 1185 124 PHE CA C 60.65 . 1 1186 124 PHE CB C 39.95 . 1 1187 124 PHE N N 120.38 . 1 1188 125 ALA H H 8.16 . 1 1189 125 ALA HA H 3.84 . 1 1190 125 ALA HB H 1.55 . 1 1191 125 ALA C C 180.27 . 1 1192 125 ALA CA C 55.45 . 1 1193 125 ALA CB C 17.45 . 1 1194 125 ALA N N 118.78 . 1 1195 126 ALA H H 7.86 . 1 1196 126 ALA HA H 4.03 . 1 1197 126 ALA HB H 1.65 . 1 1198 126 ALA C C 179.17 . 1 1199 126 ALA CA C 55.55 . 1 1200 126 ALA CB C 17.85 . 1 1201 126 ALA N N 121.88 . 1 1202 127 TRP H H 7.82 . 1 1203 127 TRP HA H 4.48 . 1 1204 127 TRP HB2 H 3.73 . 2 1205 127 TRP HB3 H 3.62 . 2 1206 127 TRP C C 177.77 . 1 1207 127 TRP CA C 58.05 . 1 1208 127 TRP CB C 29.65 . 1 1209 127 TRP N N 120.68 . 1 1210 128 LEU H H 8.22 . 1 1211 128 LEU HA H 3.73 . 1 1212 128 LEU HB2 H 1.27 . 2 1213 128 LEU HB3 H 1.21 . 2 1214 128 LEU HG H 0.90 . 1 1215 128 LEU HD1 H -0.06 . 2 1216 128 LEU HD2 H 0.10 . 2 1217 128 LEU C C 180.57 . 1 1218 128 LEU CA C 58.55 . 1 1219 128 LEU CB C 40.25 . 1 1220 128 LEU CG C 28.25 . 1 1221 128 LEU CD1 C 24.15 . 2 1222 128 LEU CD2 C 22.95 . 2 1223 128 LEU N N 116.18 . 1 1224 129 THR H H 8.44 . 1 1225 129 THR HA H 4.53 . 1 1226 129 THR HB H 4.19 . 1 1227 129 THR HG2 H 1.23 . 1 1228 129 THR C C 179.07 . 1 1229 129 THR CA C 65.15 . 1 1230 129 THR CB C 69.15 . 1 1231 129 THR CG2 C 20.85 . 1 1232 129 THR N N 111.58 . 1 1233 130 ALA H H 7.68 . 1 1234 130 ALA HA H 4.04 . 1 1235 130 ALA HB H 1.14 . 1 1236 130 ALA C C 178.67 . 1 1237 130 ALA CA C 54.95 . 1 1238 130 ALA CB C 17.65 . 1 1239 130 ALA N N 126.18 . 1 1240 131 LEU H H 7.06 . 1 1241 131 LEU HA H 4.33 . 1 1242 131 LEU HB2 H 1.80 . 1 1243 131 LEU HB3 H 1.80 . 1 1244 131 LEU HG H 2.01 . 1 1245 131 LEU HD1 H 0.92 . 2 1246 131 LEU HD2 H 0.69 . 2 1247 131 LEU C C 177.17 . 1 1248 131 LEU CA C 54.35 . 1 1250 131 LEU CG C 26.35 . 1 1251 131 LEU CD1 C 26.05 . 2 1252 131 LEU CD2 C 21.85 . 2 1253 131 LEU N N 113.08 . 1 1254 132 GLY H H 7.59 . 1 1255 132 GLY HA2 H 4.30 . 2 1256 132 GLY HA3 H 3.74 . 2 1257 132 GLY C C 174.77 . 1 1258 132 GLY CA C 45.75 . 1 1259 132 GLY N N 105.48 . 1 1260 133 MET H H 7.93 . 1 1261 133 MET HA H 4.51 . 1 1262 133 MET HB2 H 1.98 . 2 1263 133 MET HB3 H 1.60 . 2 1264 133 MET HG2 H 2.57 . 2 1265 133 MET HG3 H 2.34 . 2 1266 133 MET C C 174.97 . 1 1267 133 MET CA C 55.25 . 1 1268 133 MET CB C 34.35 . 1 1269 133 MET CG C 33.25 . 1 1270 133 MET N N 119.68 . 1 1271 134 SER H H 8.62 . 1 1272 134 SER HA H 4.59 . 1 1273 134 SER HB2 H 4.26 . 2 1274 134 SER HB3 H 3.96 . 2 1275 134 SER C C 175.27 . 1 1276 134 SER CA C 57.35 . 1 1277 134 SER CB C 65.75 . 1 1278 134 SER N N 115.18 . 1 1279 135 LYS H H 8.68 . 1 1280 135 LYS HA H 3.85 . 1 1281 135 LYS HB2 H 1.82 . 1 1282 135 LYS HB3 H 1.82 . 1 1283 135 LYS HG2 H 1.51 . 2 1284 135 LYS HG3 H 1.38 . 2 1285 135 LYS HD2 H 1.67 . 1 1286 135 LYS HD3 H 1.67 . 1 1287 135 LYS HE2 H 2.96 . 1 1288 135 LYS HE3 H 2.96 . 1 1289 135 LYS C C 178.77 . 1 1290 135 LYS CA C 59.95 . 1 1291 135 LYS CB C 32.15 . 1 1292 135 LYS CG C 25.75 . 1 1293 135 LYS CD C 29.25 . 1 1294 135 LYS CE C 42.05 . 1 1295 135 LYS N N 120.98 . 1 1296 136 ALA H H 8.20 . 1 1297 136 ALA HA H 4.17 . 1 1298 136 ALA HB H 1.39 . 1 1299 136 ALA C C 180.27 . 1 1300 136 ALA CA C 54.85 . 1 1301 136 ALA CB C 18.25 . 1 1302 136 ALA N N 121.18 . 1 1303 137 GLU H H 7.77 . 1 1304 137 GLU HA H 4.06 . 1 1305 137 GLU HB2 H 2.19 . 1 1306 137 GLU HB3 H 2.19 . 1 1307 137 GLU HG2 H 2.24 . 1 1308 137 GLU HG3 H 2.24 . 1 1309 137 GLU C C 178.87 . 1 1310 137 GLU CA C 58.55 . 1 1311 137 GLU CB C 29.75 . 1 1312 137 GLU CG C 37.15 . 1 1313 137 GLU N N 117.98 . 1 1314 138 ALA H H 8.07 . 1 1315 138 ALA HA H 4.02 . 1 1316 138 ALA HB H 1.40 . 1 1317 138 ALA C C 178.47 . 1 1318 138 ALA CA C 54.95 . 1 1319 138 ALA CB C 18.15 . 1 1320 138 ALA N N 121.38 . 1 1321 139 ALA H H 8.02 . 1 1322 139 ALA HA H 4.19 . 1 1323 139 ALA HB H 1.48 . 1 1324 139 ALA C C 180.27 . 1 1325 139 ALA CA C 55.05 . 1 1326 139 ALA CB C 18.05 . 1 1327 139 ALA N N 119.48 . 1 1328 140 GLU H H 7.60 . 1 1329 140 GLU HA H 4.16 . 1 1330 140 GLU HB2 H 2.05 . 1 1331 140 GLU HB3 H 2.05 . 1 1332 140 GLU HG2 H 2.35 . 2 1333 140 GLU HG3 H 2.28 . 2 1334 140 GLU C C 178.97 . 1 1335 140 GLU CA C 58.75 . 1 1336 140 GLU CB C 29.75 . 1 1337 140 GLU CG C 36.05 . 1 1338 140 GLU N N 116.78 . 1 1339 141 ALA H H 8.09 . 1 1340 141 ALA HA H 4.19 . 1 1341 141 ALA HB H 1.50 . 1 1342 141 ALA C C 178.77 . 1 1343 141 ALA CA C 54.65 . 1 1344 141 ALA CB C 18.45 . 1 1345 141 ALA N N 120.28 . 1 1346 142 PHE H H 8.60 . 1 1347 142 PHE HA H 3.30 . 1 1348 142 PHE HB2 H 3.17 . 2 1349 142 PHE HB3 H 3.13 . 2 1350 142 PHE C C 176.57 . 1 1351 142 PHE CA C 62.65 . 1 1352 142 PHE CB C 39.25 . 1 1353 142 PHE N N 118.58 . 1 1354 143 ASN H H 7.45 . 1 1355 143 ASN HA H 4.34 . 1 1356 143 ASN HB2 H 2.87 . 1 1357 143 ASN HB3 H 2.87 . 1 1358 143 ASN HD21 H 7.62 . 2 1359 143 ASN HD22 H 6.83 . 2 1360 143 ASN C C 176.67 . 1 1361 143 ASN CA C 55.75 . 1 1362 143 ASN CB C 38.65 . 1 1363 143 ASN N N 112.58 . 1 1364 143 ASN ND2 N 113.30 . 1 1365 144 GLN H H 7.40 . 1 1366 144 GLN HA H 3.98 . 1 1367 144 GLN HB2 H 2.19 . 2 1368 144 GLN HB3 H 2.04 . 2 1369 144 GLN HG2 H 2.45 . 2 1370 144 GLN HG3 H 2.31 . 2 1371 144 GLN HE21 H 7.30 . 2 1372 144 GLN HE22 H 6.68 . 2 1373 144 GLN C C 177.07 . 1 1374 144 GLN CA C 57.95 . 1 1375 144 GLN CB C 29.15 . 1 1376 144 GLN CG C 34.15 . 1 1377 144 GLN N N 115.68 . 1 1378 144 GLN NE2 N 111.80 . 1 1379 145 VAL H H 7.49 . 1 1380 145 VAL HA H 3.72 . 1 1381 145 VAL HB H 1.54 . 1 1382 145 VAL HG1 H 0.70 . 2 1383 145 VAL HG2 H 0.76 . 2 1384 145 VAL C C 176.37 . 1 1385 145 VAL CA C 63.45 . 1 1386 145 VAL CB C 31.55 . 1 1387 145 VAL CG1 C 23.65 . 2 1388 145 VAL CG2 C 22.35 . 2 1389 145 VAL N N 116.18 . 1 1390 146 ASP H H 7.38 . 1 1391 146 ASP HA H 4.34 . 1 1392 146 ASP HB2 H 2.49 . 2 1393 146 ASP HB3 H 1.65 . 2 1394 146 ASP C C 177.37 . 1 1395 146 ASP CA C 52.55 . 1 1396 146 ASP CB C 38.55 . 1 1397 146 ASP N N 118.38 . 1 1398 147 THR H H 8.28 . 1 1399 147 THR HA H 3.86 . 1 1400 147 THR HB H 4.16 . 1 1401 147 THR HG2 H 1.23 . 1 1402 147 THR C C 176.07 . 1 1403 147 THR CA C 65.45 . 1 1404 147 THR CB C 68.85 . 1 1405 147 THR CG2 C 22.55 . 1 1406 147 THR N N 119.98 . 1 1407 148 ASN H H 7.70 . 1 1408 148 ASN HA H 4.81 . 1 1409 148 ASN HB2 H 3.31 . 2 1410 148 ASN HB3 H 2.86 . 2 1411 148 ASN HD21 H 7.87 . 2 1412 148 ASN HD22 H 6.35 . 2 1413 148 ASN C C 176.57 . 1 1414 148 ASN CA C 51.55 . 1 1416 148 ASN N N 113.88 . 1 1417 148 ASN ND2 N 113.30 . 1 1418 149 GLY H H 7.73 . 1 1419 149 GLY HA2 H 3.78 . 1 1420 149 GLY HA3 H 3.78 . 1 1421 149 GLY C C 174.57 . 1 1422 149 GLY CA C 47.55 . 1 1423 149 GLY N N 107.68 . 1 1424 150 ASN H H 7.88 . 1 1425 150 ASN HA H 4.75 . 1 1426 150 ASN HB2 H 3.32 . 2 1427 150 ASN HB3 H 2.51 . 2 1428 150 ASN HD21 H 7.96 . 2 1429 150 ASN HD22 H 7.11 . 2 1430 150 ASN C C 176.47 . 1 1431 150 ASN CA C 52.15 . 1 1433 150 ASN N N 116.68 . 1 1434 150 ASN ND2 N 115.60 . 1 1435 151 GLY H H 10.64 . 1 1436 151 GLY HA2 H 4.20 . 2 1437 151 GLY HA3 H 3.66 . 2 1438 151 GLY C C 172.77 . 1 1439 151 GLY CA C 45.95 . 1 1440 151 GLY N N 112.88 . 1 1441 152 GLU H H 7.32 . 1 1442 152 GLU HA H 4.89 . 1 1443 152 GLU HB2 H 1.69 . 2 1444 152 GLU HB3 H 1.27 . 2 1445 152 GLU HG2 H 2.10 . 2 1446 152 GLU HG3 H 1.97 . 2 1447 152 GLU C C 174.97 . 1 1448 152 GLU CA C 53.65 . 1 1449 152 GLU CB C 33.75 . 1 1450 152 GLU CG C 33.15 . 1 1451 152 GLU N N 115.98 . 1 1452 153 LEU H H 10.10 . 1 1453 153 LEU HA H 5.34 . 1 1454 153 LEU HB2 H 1.94 . 2 1455 153 LEU HB3 H 0.83 . 2 1456 153 LEU HG H 1.41 . 1 1457 153 LEU HD1 H -0.21 . 2 1458 153 LEU HD2 H -0.28 . 2 1459 153 LEU C C 176.17 . 1 1460 153 LEU CA C 52.75 . 1 1461 153 LEU CB C 40.55 . 1 1462 153 LEU CG C 25.35 . 1 1463 153 LEU CD1 C 25.55 . 2 1464 153 LEU CD2 C 21.65 . 2 1465 153 LEU N N 125.18 . 1 1466 154 SER H H 8.41 . 1 1467 154 SER HA H 4.74 . 1 1468 154 SER HB2 H 4.35 . 2 1469 154 SER HB3 H 3.88 . 2 1470 154 SER C C 175.77 . 1 1471 154 SER CA C 55.65 . 1 1472 154 SER CB C 65.75 . 1 1473 154 SER N N 118.08 . 1 1474 155 LEU H H 9.02 . 1 1475 155 LEU HA H 4.02 . 1 1476 155 LEU HB2 H 1.99 . 2 1477 155 LEU HB3 H 1.69 . 2 1478 155 LEU HD1 H 0.85 . 2 1479 155 LEU HD2 H 0.79 . 2 1480 155 LEU C C 178.07 . 1 1481 155 LEU CA C 58.75 . 1 1482 155 LEU CB C 41.55 . 1 1483 155 LEU CG C 27.15 . 1 1484 155 LEU CD1 C 25.15 . 2 1485 155 LEU CD2 C 23.95 . 2 1486 155 LEU N N 121.18 . 1 1487 156 ASP H H 8.31 . 1 1488 156 ASP HA H 4.30 . 1 1489 156 ASP HB2 H 2.65 . 2 1490 156 ASP HB3 H 2.51 . 2 1491 156 ASP C C 179.07 . 1 1492 156 ASP CA C 57.45 . 1 1493 156 ASP CB C 40.25 . 1 1494 156 ASP N N 113.98 . 1 1495 157 GLU H H 7.54 . 1 1496 157 GLU HA H 4.04 . 1 1497 157 GLU HB2 H 2.36 . 1 1498 157 GLU HB3 H 2.36 . 1 1499 157 GLU C C 180.37 . 1 1500 157 GLU CA C 58.85 . 1 1501 157 GLU CB C 28.85 . 1 1502 157 GLU CG C 36.35 . 1 1503 157 GLU N N 120.68 . 1 1504 158 LEU H H 8.31 . 1 1505 158 LEU HA H 3.90 . 1 1506 158 LEU HB2 H 2.05 . 2 1507 158 LEU HB3 H 1.21 . 2 1508 158 LEU HG H 1.57 . 1 1509 158 LEU HD1 H 0.82 . 2 1510 158 LEU HD2 H 0.69 . 2 1511 158 LEU C C 178.27 . 9 1512 158 LEU CA C 58.35 . 1 1513 158 LEU CB C 42.75 . 1 1514 158 LEU CG C 26.95 . 1 1515 158 LEU CD1 C 26.35 . 2 1516 158 LEU CD2 C 23.65 . 2 1517 158 LEU N N 121.18 . 1 1518 159 LEU H H 8.79 . 1 1519 159 LEU HA H 4.05 . 1 1520 159 LEU HB2 H 1.95 . 1 1521 159 LEU HB3 H 1.95 . 1 1522 159 LEU C C 179.57 . 1 1523 159 LEU CA C 58.85 . 1 1524 159 LEU CB C 41.45 . 1 1525 159 LEU N N 119.48 . 1 1526 160 THR H H 8.01 . 1 1527 160 THR HA H 3.84 . 1 1528 160 THR HB H 4.16 . 1 1529 160 THR HG2 H 1.20 . 1 1530 160 THR C C 175.27 . 1 1531 160 THR CA C 66.95 . 1 1532 160 THR CB C 68.75 . 1 1533 160 THR CG2 C 22.15 . 1 1534 160 THR N N 115.78 . 1 1535 161 ALA H H 7.78 . 1 1536 161 ALA HA H 4.18 . 1 1537 161 ALA HB H 1.48 . 1 1539 161 ALA CA C 55.25 . 1 1540 161 ALA CB C 18.95 . 1 1541 161 ALA N N 122.88 . 1 1542 162 VAL H H 8.23 . 1 1543 162 VAL HA H 3.87 . 1 1544 162 VAL HB H 2.50 . 1 1545 162 VAL HG1 H 1.22 . 1 1546 162 VAL HG2 H 1.22 . 1 1549 162 VAL CG1 C 23.15 . 2 1550 162 VAL CG2 C 22.45 . 2 1552 165 PHE HA H 4.51 . 1 1553 165 PHE HB2 H 2.85 . 2 1554 165 PHE HB3 H 2.36 . 2 1557 167 PHE HA H 4.62 . 1 1558 167 PHE HB2 H 3.33 . 2 1559 167 PHE HB3 H 2.97 . 2 1560 167 PHE C C 176.27 . 1 1561 167 PHE CA C 58.05 . 1 1563 168 GLY H H 7.67 . 1 1564 168 GLY HA2 H 4.13 . 2 1565 168 GLY HA3 H 3.61 . 2 1566 168 GLY C C 173.97 . 1 1567 168 GLY CA C 45.55 . 1 1568 168 GLY N N 105.48 . 1 1569 169 ARG H H 7.90 . 1 1570 169 ARG HA H 4.23 . 1 1571 169 ARG HB2 H 1.88 . 2 1572 169 ARG HB3 H 1.59 . 2 1573 169 ARG HG2 H 1.53 . 1 1574 169 ARG HG3 H 1.53 . 1 1575 169 ARG HD2 H 3.11 . 1 1576 169 ARG HD3 H 3.11 . 1 1577 169 ARG C C 174.57 . 1 1578 169 ARG CA C 57.05 . 1 1579 169 ARG CB C 31.55 . 1 1580 169 ARG CG C 27.95 . 1 1581 169 ARG CD C 43.35 . 1 1582 169 ARG N N 117.48 . 1 1583 170 LEU H H 7.07 . 1 1584 170 LEU HA H 4.52 . 1 1585 170 LEU HB2 H 1.54 . 9 1586 170 LEU HB3 H 1.54 . 9 1587 170 LEU HG H 1.58 . 9 1588 170 LEU HD1 H 0.95 . 1 1589 170 LEU HD2 H 0.95 . 1 1590 170 LEU C C 175.97 . 1 1591 170 LEU CA C 54.05 . 1 1592 170 LEU CB C 45.85 . 1 1593 170 LEU CG C 28.05 . 1 1594 170 LEU CD1 C 25.65 . 1 1595 170 LEU CD2 C 25.65 . 1 1596 170 LEU N N 116.28 . 1 1597 171 ASP H H 8.88 . 1 1598 171 ASP HA H 4.90 . 1 1599 171 ASP HB2 H 2.85 . 2 1600 171 ASP HB3 H 2.49 . 2 1601 171 ASP C C 174.97 . 1 1602 171 ASP CA C 54.25 . 1 1603 171 ASP CB C 41.35 . 1 1604 171 ASP N N 121.58 . 1 1605 172 VAL H H 6.75 . 1 1606 172 VAL HA H 3.99 . 1 1607 172 VAL HB H 1.65 . 1 1608 172 VAL HG1 H 0.64 . 2 1609 172 VAL HG2 H 0.73 . 2 1611 172 VAL CA C 61.15 . 1 1613 172 VAL CG1 C 21.25 . 2 1614 172 VAL CG2 C 20.55 . 2 1615 172 VAL N N 116.48 . 1 1616 173 GLU H H 9.22 . 1 1619 176 GLY H H 7.48 . 1 1620 176 GLY HA2 H 4.03 . 2 1621 176 GLY HA3 H 3.62 . 2 stop_ save_