data_4301 #Corrected using PDB structure: 1CFE_ # #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 # 49 S HA 4.19 3.44 # 57 K HA 5.88 5.09 # 60 G HA 3.72 4.51 # 68 V HA 3.10 2.00 # 83 N HA 4.22 3.40 # 85 C HA 5.74 4.84 #106 G HA 4.54 2.80 #108 G HA 3.83 4.62 #122 N HA 5.57 4.76 #125 P HA 4.96 4.22 #127 G HA 4.41 2.24 #134 P HA 2.22 3.71 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 85 C CB 35.59 40.79 # 91 C CB 36.89 43.07 # 93 H CB 27.19 38.55 # #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 A N 120.81 132.83 # 98 V N 103.61 116.20 # 99 W N 118.51 130.76 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted #128 N H 3.59 6.10 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.05 -0.02 -0.11 N/A -0.29 -0.02 # #bmr4301.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4301.str file): #HA CA CB CO N HN #N/A -0.06 -0.06 N/A -0.29 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.16 +/-0.19 N/A +/-0.39 +/-0.07 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.771 0.968 0.987 N/A 0.788 0.639 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.164 0.906 0.997 N/A 2.198 0.406 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments of the Pathogenesis-related Protein P14a ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fernandez Cesar . . 2 Szyperski Thomas . . 3 Bruyere Thierry . . 4 Ramage Paul . . 5 Mosinger Egon . . 6 Wuthrich Kurt . . stop_ _BMRB_accession_number 4301 _BMRB_flat_file_name bmr4301.str _Entry_type new _Submission_date 1999-01-26 _Accession_date 1999-01-26 _Entry_origination author _NMR_STAR_version 2.1 _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' 763 '13C chemical shifts' 408 '15N chemical shifts' 156 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Fernandez, C., Szyperski, T., Bruyere, T., Ramage, P., Mosinger, E. and Wuthrich, K., "NMR solution structure of the pathogenesis-related protein P14a". J. Mol. Biol. 266, 576-593 (1997). ; _Citation_title ; NMR solution structure of the pathogenesis-related protein P14a ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 97220236 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fernandez Cesar . . 2 Szyperski Thomas . . 3 Bruyere Thierry . . 4 Ramage Paul . . 5 Mosinger Egon . . 6 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 266 _Journal_issue 3 _Page_first 576 _Page_last 593 _Year 1997 loop_ _Keyword NMR 'nuclear magnetic resonance' 'sequential resonance assignments' 'isotope labeling' 'protein structure' 'plant pathogenesis-related proteins' 'plant defense' stop_ save_ ################################## # Molecular system description # ################################## save_system_P14a _Saveframe_category molecular_system _Mol_system_name 'Pathogenesis-related Protein P14a' _Abbreviation_common P14a loop_ _Mol_system_component_name _Mol_label P14a $P14a stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no loop_ _Biological_function 'antifungal activity' 'molecular mechanism unknown' stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1CFE "P14a, Nmr, 20 Structures" . stop_ save_ ######################## # Monomeric polymers # ######################## save_P14a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Pathogenesis-related Protein P14a' _Name_variant . _Abbreviation_common P14a _Molecular_mass 14800 _Details ; The peptide bond between residues Asp 124 and Pro 125 is in the cis configuration ; loop_ _Synonym 'Pathogenesis-related leaf protein 6' 'Ethylene-induced protein P1' P14 'PR-1 protein' stop_ ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; QNSPQDYLAVHNDARAQVGV GPMSWDANLASRAQNYANSR AGDCNLIHSGAGENLAKGGG DFTGRAAVQLWVSERPSYNY ATNQCVGGKKCRHYTQVVWR NSVRLGCGRARCNNGWWFIS CNYDPVGNWIGQRPY ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 ASN 3 SER 4 PRO 5 GLN 6 ASP 7 TYR 8 LEU 9 ALA 10 VAL 11 HIS 12 ASN 13 ASP 14 ALA 15 ARG 16 ALA 17 GLN 18 VAL 19 GLY 20 VAL 21 GLY 22 PRO 23 MET 24 SER 25 TRP 26 ASP 27 ALA 28 ASN 29 LEU 30 ALA 31 SER 32 ARG 33 ALA 34 GLN 35 ASN 36 TYR 37 ALA 38 ASN 39 SER 40 ARG 41 ALA 42 GLY 43 ASP 44 CYS 45 ASN 46 LEU 47 ILE 48 HIS 49 SER 50 GLY 51 ALA 52 GLY 53 GLU 54 ASN 55 LEU 56 ALA 57 LYS 58 GLY 59 GLY 60 GLY 61 ASP 62 PHE 63 THR 64 GLY 65 ARG 66 ALA 67 ALA 68 VAL 69 GLN 70 LEU 71 TRP 72 VAL 73 SER 74 GLU 75 ARG 76 PRO 77 SER 78 TYR 79 ASN 80 TYR 81 ALA 82 THR 83 ASN 84 GLN 85 CYS 86 VAL 87 GLY 88 GLY 89 LYS 90 LYS 91 CYS 92 ARG 93 HIS 94 TYR 95 THR 96 GLN 97 VAL 98 VAL 99 TRP 100 ARG 101 ASN 102 SER 103 VAL 104 ARG 105 LEU 106 GLY 107 CYS 108 GLY 109 ARG 110 ALA 111 ARG 112 CYS 113 ASN 114 ASN 115 GLY 116 TRP 117 TRP 118 PHE 119 ILE 120 SER 121 CYS 122 ASN 123 TYR 124 ASP 125 PRO 126 VAL 127 GLY 128 ASN 129 TRP 130 ILE 131 GLY 132 GLN 133 ARG 134 PRO 135 TYR stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-03-18 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 1CFE "P14a, Nmr, 20 Structures" 100.00 135 100 100 10e-81 EMBL CAA48672.1 "P1(p14) protein [Lycopersicon esculentum]" 84.91 159 100 100 10e-81 EMBL CAA70042.1 "PR protein [Lycopersicon esculentum]" 84.91 159 100 100 10e-81 GenBank AAA03616.1 "pathogenesis-related protein P6" 84.91 159 100 100 10e-81 PIR VCTO14 "pathogenesis-related protein P6 precursor -tomato" 84.91 159 100 100 10e-81 SWISS-PROT P04284 "PR06_LYCES Pathogenesis-related leaf protein 6precursor (P6) (Ethylene-induced protein P1) (P14)(P14A) (PR protein)" 84.91 159 100 100 10e-81 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bond_definitions _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single disulfide P14a 44 CYS SG P14a 112 CYS SG single disulfide P14a 84 CYS SG P14a 91 CYS SG single disulfide P14a 107 CYS SG P14a 121 CYS SG stop_ loop_ _Deleted_atom_mol_system_component_name _Deleted_atom_residue_seq_code _Deleted_atom_residue_label _Deleted_atom_name P14a 44 CYS HG P14a 84 CYS HG P14a 91 CYS HG P14a 107 CYS HG P14a 112 CYS HG P14a 121 CYS HG stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $P14a tomato 4081 Eukaryota Viridiplantae Lycopersicon esculentum . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common $P14a 'recombinant technology' 'E. coli' 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 $P14a 1.5 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $P14a 1.5 mM [U-15N] H2O 90 % . D2O 10 % . stop_ save_ save_sample_three _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $P14a 1.5 mM [U-13C;U-15N] H2O 90 % . D2O 10 % . stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_p14a _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_units pH 5.5 n/a temperature 303 K stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX600 _Field_strength 600 save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX500 _Field_strength 500 save_ save_NMR_spectrometer_three _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 750 save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_p14a _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 _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal . 1 DSS C 13 'methyl protons' ppm 0.0 . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . . 0.101329118 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 $sample_two $sample_three stop_ _Sample_conditions_label $sample_conditions_p14a _Chem_shift_reference_set_label $chemical_shift_reference_p14a _Mol_system_component_name P14a 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 1 GLN CA C 57.34 . 1 2 1 GLN HA H 3.96 . 1 3 1 GLN CB C 28.64 . 1 4 1 GLN HB2 H 1.92 . 2 5 1 GLN HB3 H 1.95 . 2 6 1 GLN CG C 36.34 . 1 7 1 GLN HG2 H 2.05 . 2 8 1 GLN HG3 H 2.12 . 2 9 2 ASN N N 115.61 . 1 10 2 ASN H H 8.15 . 1 11 2 ASN CA C 52.64 . 1 12 2 ASN HA H 4.61 . 1 13 2 ASN CB C 40.24 . 1 14 2 ASN HB2 H 2.81 . 2 15 2 ASN HB3 H 2.54 . 2 16 2 ASN ND2 N 113.50 . 1 17 2 ASN HD21 H 6.12 . 2 18 2 ASN HD22 H 7.22 . 2 19 3 SER N N 119.41 . 1 20 3 SER H H 8.88 . 1 21 3 SER CA C 57.44 . 1 22 3 SER HA H 4.77 . 1 23 3 SER CB C 62.84 . 1 24 3 SER HB2 H 3.88 . 2 25 3 SER HB3 H 4.02 . 2 26 4 PRO CD C 49.84 . 1 27 4 PRO CA C 66.04 . 1 28 4 PRO HA H 2.95 . 1 29 4 PRO CB C 30.84 . 1 30 4 PRO HB2 H 1.04 . 1 31 4 PRO HB3 H -0.15 . 1 32 4 PRO CG C 27.54 . 1 33 4 PRO HG2 H 1.16 . 1 34 4 PRO HG3 H 1.69 . 1 35 4 PRO HD2 H 3.58 . 2 36 4 PRO HD3 H 3.81 . 2 37 5 GLN N N 112.21 . 1 38 5 GLN H H 7.95 . 1 39 5 GLN CA C 58.64 . 1 40 5 GLN HA H 3.81 . 1 41 5 GLN CB C 27.54 . 1 42 5 GLN HB2 H 1.89 . 2 43 5 GLN HB3 H 1.94 . 2 44 5 GLN CG C 33.74 . 1 45 5 GLN HG2 H 2.30 . 2 46 5 GLN HG3 H 2.37 . 2 47 6 ASP N N 119.91 . 1 48 6 ASP H H 7.72 . 1 49 6 ASP CA C 57.64 . 1 50 6 ASP HA H 4.30 . 1 51 6 ASP CB C 41.14 . 1 52 6 ASP HB2 H 2.57 . 1 53 6 ASP HB3 H 2.04 . 1 54 7 TYR N N 113.71 . 1 55 7 TYR H H 7.12 . 1 56 7 TYR CA C 61.84 . 1 57 7 TYR HA H 4.07 . 1 58 7 TYR CB C 40.14 . 1 59 7 TYR HB2 H 3.22 . 1 60 7 TYR HB3 H 3.15 . 1 61 7 TYR HD1 H 7.00 . 1 62 7 TYR HD2 H 7.00 . 1 63 7 TYR HE1 H 6.32 . 1 64 7 TYR HE2 H 6.32 . 1 65 7 TYR CD1 C 133.34 . 3 66 7 TYR CE1 C 117.74 . 3 67 8 LEU N N 120.81 . 1 68 8 LEU H H 8.79 . 1 69 8 LEU CA C 57.94 . 1 70 8 LEU HA H 3.89 . 1 71 8 LEU CB C 42.74 . 1 72 8 LEU HB2 H 1.81 . 1 73 8 LEU HB3 H 1.52 . 1 74 8 LEU CG C 26.64 . 1 75 8 LEU HG H 1.83 . 1 76 8 LEU HD1 H 0.94 . 1 77 8 LEU HD2 H 0.88 . 1 78 8 LEU CD1 C 24.04 . 1 79 8 LEU CD2 C 25.54 . 1 80 9 ALA N N 120.71 . 1 81 9 ALA H H 8.35 . 1 82 9 ALA CA C 55.94 . 1 83 9 ALA HA H 4.11 . 1 84 9 ALA HB H 1.52 . 1 85 9 ALA CB C 18.24 . 1 86 10 VAL N N 112.51 . 1 87 10 VAL H H 7.07 . 1 88 10 VAL CA C 65.44 . 1 89 10 VAL HA H 3.88 . 1 90 10 VAL CB C 31.94 . 1 91 10 VAL HB H 1.75 . 1 92 10 VAL HG1 H 0.88 . 1 93 10 VAL HG2 H 1.10 . 1 94 10 VAL CG1 C 21.84 . 1 95 10 VAL CG2 C 22.24 . 1 96 11 HIS N N 115.61 . 1 97 11 HIS H H 7.40 . 1 98 11 HIS CA C 61.94 . 1 99 11 HIS HA H 3.88 . 1 100 11 HIS CB C 29.04 . 1 101 11 HIS HB2 H 3.22 . 1 102 11 HIS HB3 H 3.22 . 1 103 11 HIS ND1 N 106.60 . 1 104 11 HIS HD1 H 11.85 . 1 105 11 HIS CE1 C 138.14 . 1 106 11 HIS HD2 H 7.41 . 1 107 11 HIS HE1 H 8.05 . 1 108 12 ASN N N 117.51 . 1 109 12 ASN H H 9.32 . 1 110 12 ASN CA C 55.44 . 1 111 12 ASN HA H 4.69 . 1 112 12 ASN CB C 36.34 . 1 113 12 ASN HB2 H 3.04 . 1 114 12 ASN HB3 H 2.85 . 1 115 12 ASN ND2 N 107.80 . 1 116 12 ASN HD21 H 7.89 . 1 117 12 ASN HD22 H 6.56 . 1 118 13 ASP N N 123.61 . 1 119 13 ASP H H 8.46 . 1 120 13 ASP CA C 57.34 . 1 121 13 ASP HA H 4.54 . 1 122 13 ASP CB C 40.94 . 1 123 13 ASP HB2 H 2.82 . 2 124 13 ASP HB3 H 2.68 . 2 125 14 ALA N N 121.21 . 1 126 14 ALA H H 7.29 . 1 127 14 ALA CA C 55.14 . 1 128 14 ALA HA H 4.12 . 1 129 14 ALA HB H 1.52 . 1 130 14 ALA CB C 18.34 . 1 131 15 ARG N N 118.01 . 1 132 15 ARG H H 8.30 . 1 133 15 ARG CA C 59.64 . 1 134 15 ARG HA H 3.59 . 1 135 15 ARG CB C 31.54 . 1 136 15 ARG HB2 H 1.60 . 1 137 15 ARG HB3 H 2.08 . 1 138 15 ARG CG C 32.44 . 1 139 15 ARG HG2 H 1.35 . 1 140 15 ARG HG3 H 1.97 . 1 141 15 ARG CD C 43.84 . 1 142 15 ARG HD2 H 3.09 . 2 143 15 ARG HD3 H 4.03 . 2 144 15 ARG NE N 113.00 . 1 145 15 ARG HE H 8.14 . 1 146 16 ALA N N 122.21 . 1 147 16 ALA H H 8.33 . 1 148 16 ALA CA C 55.24 . 1 149 16 ALA HA H 4.08 . 1 150 16 ALA HB H 1.57 . 1 151 16 ALA CB C 17.64 . 1 152 17 GLN N N 115.01 . 1 153 17 GLN H H 7.46 . 1 154 17 GLN CA C 58.34 . 1 155 17 GLN HA H 4.06 . 1 156 17 GLN CB C 28.54 . 1 157 17 GLN HB2 H 2.17 . 2 158 17 GLN HB3 H 2.24 . 2 159 17 GLN CG C 34.04 . 1 160 17 GLN HG2 H 2.52 . 2 161 17 GLN HG3 H 2.61 . 2 162 17 GLN NE2 N 112.40 . 1 163 17 GLN HE21 H 6.73 . 2 164 17 GLN HE22 H 7.41 . 2 165 18 VAL N N 107.51 . 1 166 18 VAL H H 7.14 . 1 167 18 VAL CA C 59.74 . 1 168 18 VAL HA H 4.36 . 1 169 18 VAL CB C 30.44 . 1 170 18 VAL HB H 1.53 . 1 171 18 VAL HG1 H 0.71 . 1 172 18 VAL HG2 H 0.46 . 1 173 18 VAL CG1 C 18.24 . 1 174 18 VAL CG2 C 21.84 . 1 175 19 GLY N N 107.51 . 1 176 19 GLY H H 7.48 . 1 177 19 GLY CA C 46.44 . 1 178 19 GLY HA2 H 3.73 . 1 179 19 GLY HA3 H 3.89 . 1 180 20 VAL N N 121.61 . 1 181 20 VAL H H 8.04 . 1 182 20 VAL CA C 61.54 . 1 183 20 VAL HA H 3.99 . 1 184 20 VAL CB C 32.74 . 1 185 20 VAL HB H 1.72 . 1 186 20 VAL HG1 H 1.07 . 2 187 20 VAL HG2 H 0.81 . 2 188 20 VAL CG1 C 22.64 . 1 189 20 VAL CG2 C 22.94 . 1 190 21 GLY N N 113.71 . 1 191 21 GLY H H 8.53 . 1 192 21 GLY CA C 44.74 . 1 193 21 GLY HA2 H 3.89 . 2 194 21 GLY HA3 H 4.08 . 2 195 22 PRO CD C 49.74 . 1 196 22 PRO CA C 63.24 . 1 197 22 PRO HA H 4.42 . 1 198 22 PRO CB C 33.34 . 1 199 22 PRO HB2 H 2.02 . 2 200 22 PRO HB3 H 2.16 . 2 201 22 PRO CG C 26.94 . 1 202 22 PRO HG2 H 1.92 . 2 203 22 PRO HG3 H 2.05 . 2 204 22 PRO HD2 H 3.50 . 2 205 22 PRO HD3 H 3.60 . 2 206 23 MET N N 118.51 . 1 207 23 MET H H 9.40 . 1 208 23 MET CA C 55.24 . 1 209 23 MET HA H 4.72 . 1 210 23 MET CB C 36.14 . 1 211 23 MET HB2 H 1.65 . 1 212 23 MET HB3 H 1.86 . 1 213 23 MET CG C 32.74 . 1 214 23 MET HG2 H 2.18 . 2 215 23 MET HG3 H 2.63 . 2 216 23 MET HE H 1.97 . 1 217 23 MET CE C 18.84 . 1 218 24 SER N N 113.71 . 1 219 24 SER H H 8.45 . 1 220 24 SER CA C 57.04 . 1 221 24 SER HA H 4.84 . 1 222 24 SER CB C 65.74 . 1 223 24 SER HB2 H 3.92 . 1 224 24 SER HB3 H 3.85 . 1 225 25 TRP N N 123.21 . 1 226 25 TRP H H 9.09 . 1 227 25 TRP CA C 56.34 . 1 228 25 TRP HA H 5.20 . 1 229 25 TRP CB C 30.54 . 1 230 25 TRP HB2 H 3.15 . 1 231 25 TRP HB3 H 3.15 . 1 232 25 TRP CD1 C 128.44 . 1 233 25 TRP CE3 C 120.94 . 1 234 25 TRP NE1 N 130.60 . 1 235 25 TRP HD1 H 7.20 . 1 236 25 TRP HE3 H 6.66 . 1 237 25 TRP CZ3 C 121.64 . 1 238 25 TRP CZ2 C 115.54 . 1 239 25 TRP HE1 H 10.75 . 1 240 25 TRP HZ3 H 7.27 . 1 241 25 TRP CH2 C 123.14 . 1 242 25 TRP HZ2 H 7.66 . 1 243 25 TRP HH2 H 6.67 . 1 244 26 ASP N N 128.41 . 1 245 26 ASP H H 8.11 . 1 246 26 ASP CA C 52.44 . 1 247 26 ASP HA H 4.87 . 1 248 26 ASP CB C 44.74 . 1 249 26 ASP HB2 H 2.12 . 1 250 26 ASP HB3 H 2.35 . 1 251 27 ALA N N 127.81 . 1 252 27 ALA H H 9.01 . 1 253 27 ALA CA C 54.84 . 1 254 27 ALA HA H 4.05 . 1 255 27 ALA HB H 1.57 . 1 256 27 ALA CB C 18.54 . 1 257 28 ASN N N 118.01 . 1 258 28 ASN H H 8.43 . 1 259 28 ASN CA C 56.14 . 1 260 28 ASN HA H 4.51 . 1 261 28 ASN CB C 37.64 . 1 262 28 ASN HB2 H 2.97 . 1 263 28 ASN HB3 H 2.71 . 1 264 29 LEU N N 122.51 . 1 265 29 LEU H H 8.09 . 1 266 29 LEU CA C 57.04 . 1 267 29 LEU HA H 3.78 . 1 268 29 LEU CB C 42.14 . 1 269 29 LEU HB2 H 1.38 . 1 270 29 LEU HB3 H 1.03 . 1 271 29 LEU CG C 26.04 . 1 272 29 LEU HG H 1.34 . 1 273 29 LEU HD1 H 0.51 . 1 274 29 LEU HD2 H 0.48 . 1 275 29 LEU CD1 C 23.34 . 1 276 29 LEU CD2 C 25.54 . 1 277 30 ALA N N 119.91 . 1 278 30 ALA H H 7.99 . 1 279 30 ALA CA C 54.44 . 1 280 30 ALA HA H 3.43 . 1 281 30 ALA HB H 1.39 . 1 282 30 ALA CB C 18.64 . 1 283 31 SER N N 113.41 . 1 284 31 SER H H 7.95 . 1 285 31 SER CA C 61.24 . 1 286 31 SER HA H 4.25 . 1 287 31 SER CB C 62.34 . 1 288 31 SER HB2 H 3.99 . 1 289 31 SER HB3 H 4.02 . 1 290 32 ARG N N 122.01 . 1 291 32 ARG H H 7.50 . 1 292 32 ARG CA C 59.54 . 1 293 32 ARG HA H 4.03 . 1 294 32 ARG CB C 29.94 . 1 295 32 ARG HB2 H 1.80 . 1 296 32 ARG HB3 H 1.87 . 1 297 32 ARG CG C 26.94 . 1 298 32 ARG HG2 H 1.53 . 2 299 32 ARG HG3 H 1.68 . 2 300 32 ARG CD C 44.04 . 1 301 32 ARG HD2 H 2.98 . 2 302 32 ARG HD3 H 3.08 . 2 303 33 ALA N N 124.01 . 1 304 33 ALA H H 8.17 . 1 305 33 ALA CA C 55.04 . 1 306 33 ALA HA H 4.15 . 1 307 33 ALA HB H 1.31 . 1 308 33 ALA CB C 18.34 . 1 309 34 GLN N N 117.31 . 1 310 34 GLN H H 8.85 . 1 311 34 GLN CA C 58.34 . 1 312 34 GLN HA H 3.73 . 1 313 34 GLN CB C 28.54 . 1 314 34 GLN HB2 H 2.48 . 1 315 34 GLN HB3 H 2.22 . 1 316 34 GLN CG C 33.74 . 1 317 34 GLN HG2 H 2.26 . 2 318 34 GLN HG3 H 2.59 . 2 319 34 GLN NE2 N 116.40 . 1 320 34 GLN HE21 H 7.52 . 2 321 34 GLN HE22 H 7.35 . 2 322 35 ASN N N 117.31 . 1 323 35 ASN H H 8.44 . 1 324 35 ASN CA C 56.04 . 1 325 35 ASN HA H 4.50 . 1 326 35 ASN CB C 37.94 . 1 327 35 ASN HB2 H 2.98 . 1 328 35 ASN HB3 H 2.86 . 1 329 35 ASN ND2 N 112.50 . 1 330 35 ASN HD21 H 7.60 . 2 331 35 ASN HD22 H 6.93 . 2 332 36 TYR N N 122.21 . 1 333 36 TYR H H 8.46 . 1 334 36 TYR CA C 61.84 . 1 335 36 TYR HA H 4.31 . 1 336 36 TYR CB C 37.94 . 1 337 36 TYR HB2 H 3.25 . 1 338 36 TYR HB3 H 3.12 . 1 339 36 TYR HD1 H 7.13 . 1 340 36 TYR HD2 H 7.13 . 1 341 36 TYR HE1 H 6.88 . 1 342 36 TYR HE2 H 6.88 . 1 343 36 TYR CD1 C 133.24 . 3 344 36 TYR CE1 C 117.84 . 3 345 37 ALA N N 122.61 . 1 346 37 ALA H H 8.85 . 1 347 37 ALA CA C 55.44 . 1 348 37 ALA HA H 3.68 . 1 349 37 ALA HB H 1.51 . 1 350 37 ALA CB C 16.64 . 1 351 38 ASN N N 114.21 . 1 352 38 ASN H H 8.52 . 1 353 38 ASN CA C 55.44 . 1 354 38 ASN HA H 4.10 . 1 355 38 ASN CB C 37.24 . 1 356 38 ASN HB2 H 3.05 . 1 357 38 ASN HB3 H 2.81 . 1 358 38 ASN ND2 N 109.70 . 1 359 38 ASN HD21 H 7.76 . 1 360 38 ASN HD22 H 7.15 . 1 361 39 SER N N 117.01 . 1 362 39 SER H H 7.85 . 1 363 39 SER CA C 60.54 . 1 364 39 SER HA H 4.25 . 1 365 39 SER CB C 62.54 . 1 366 39 SER HB2 H 3.93 . 2 367 39 SER HB3 H 3.97 . 2 368 40 ARG N N 121.61 . 1 369 40 ARG H H 7.13 . 1 370 40 ARG CA C 55.74 . 1 371 40 ARG HA H 4.08 . 1 372 40 ARG CB C 31.44 . 1 373 40 ARG HB2 H 0.72 . 2 374 40 ARG HB3 H 0.91 . 2 375 40 ARG CG C 24.94 . 1 376 40 ARG HG2 H 0.46 . 2 377 40 ARG HG3 H 0.58 . 2 378 40 ARG CD C 44.44 . 1 379 40 ARG HD2 H 3.17 . 2 380 40 ARG HD3 H 3.59 . 2 381 40 ARG NE N 114.20 . 1 382 40 ARG HE H 8.37 . 1 383 41 ALA N N 120.81 . 1 384 41 ALA H H 7.08 . 1 385 41 ALA CA C 54.74 . 1 386 41 ALA HA H 4.04 . 1 387 41 ALA HB H 1.38 . 1 388 41 ALA CB C 18.54 . 1 389 42 GLY N N 104.51 . 1 390 42 GLY H H 8.07 . 1 391 42 GLY CA C 46.34 . 1 392 42 GLY HA2 H 3.73 . 2 393 42 GLY HA3 H 3.84 . 2 394 43 ASP N N 115.11 . 1 395 43 ASP H H 7.49 . 1 396 43 ASP CA C 53.14 . 1 397 43 ASP HA H 4.63 . 1 398 43 ASP CB C 42.44 . 1 399 43 ASP HB2 H 2.46 . 2 400 43 ASP HB3 H 2.70 . 2 401 44 CYS N N 126.51 . 1 402 44 CYS H H 9.39 . 1 403 44 CYS CA C 58.74 . 1 404 44 CYS HA H 4.03 . 1 405 44 CYS CB C 40.24 . 1 406 44 CYS HB2 H 3.46 . 1 407 44 CYS HB3 H 2.91 . 1 408 45 ASN N N 116.81 . 1 409 45 ASN H H 8.83 . 1 410 45 ASN CA C 52.44 . 1 411 45 ASN HA H 4.73 . 1 412 45 ASN CB C 38.94 . 1 413 45 ASN HB2 H 2.55 . 1 414 45 ASN HB3 H 2.55 . 1 415 46 LEU N N 124.21 . 1 416 46 LEU H H 8.67 . 1 417 46 LEU CA C 54.04 . 1 418 46 LEU HA H 4.38 . 1 419 46 LEU CB C 39.54 . 1 420 46 LEU HB2 H 1.45 . 2 421 46 LEU HB3 H 1.80 . 2 422 46 LEU CG C 26.64 . 1 423 46 LEU HG H 1.60 . 1 424 46 LEU HD1 H 0.98 . 1 425 46 LEU HD2 H 0.61 . 1 426 46 LEU CD1 C 23.64 . 1 427 46 LEU CD2 C 25.94 . 1 428 47 ILE N N 124.21 . 1 429 47 ILE H H 7.66 . 1 430 47 ILE CA C 59.24 . 1 431 47 ILE HA H 4.26 . 1 432 47 ILE CB C 40.24 . 1 433 47 ILE HB H 1.55 . 1 434 47 ILE HG2 H 0.85 . 1 435 47 ILE CG2 C 16.74 . 1 436 47 ILE CG1 C 26.94 . 1 437 47 ILE HG12 H 0.99 . 2 438 47 ILE HG13 H 1.34 . 2 439 47 ILE HD1 H 0.80 . 1 440 47 ILE CD1 C 12.74 . 1 441 48 HIS N N 126.91 . 1 442 48 HIS H H 8.79 . 1 443 48 HIS CA C 57.04 . 1 444 48 HIS HA H 4.82 . 1 445 48 HIS CB C 30.14 . 1 446 48 HIS HB2 H 3.03 . 2 447 48 HIS HB3 H 3.09 . 2 448 48 HIS HD2 H 7.04 . 1 449 49 SER CA C 58.74 . 1 450 49 SER HA H 4.24 . 1 451 49 SER CB C 63.44 . 1 452 49 SER HB2 H 2.72 . 2 453 49 SER HB3 H 3.45 . 2 454 50 GLY N N 109.21 . 1 455 50 GLY H H 7.29 . 1 456 50 GLY CA C 44.44 . 1 457 50 GLY HA2 H 3.80 . 2 458 50 GLY HA3 H 3.95 . 2 459 51 ALA N N 120.81 . 1 460 51 ALA H H 8.06 . 1 461 51 ALA CA C 51.64 . 1 462 51 ALA HA H 4.11 . 1 463 51 ALA HB H 1.14 . 1 464 51 ALA CB C 19.44 . 1 465 52 GLY N N 107.31 . 1 466 52 GLY H H 8.54 . 1 467 52 GLY CA C 46.64 . 1 468 52 GLY HA2 H 3.72 . 2 469 52 GLY HA3 H 3.81 . 2 470 53 GLU N N 119.91 . 1 471 53 GLU H H 7.67 . 1 472 53 GLU CA C 54.74 . 1 473 53 GLU HA H 5.52 . 1 474 53 GLU CB C 35.34 . 1 475 53 GLU HB2 H 1.61 . 2 476 53 GLU HB3 H 1.90 . 2 477 53 GLU CG C 37.24 . 1 478 53 GLU HG2 H 1.82 . 2 479 53 GLU HG3 H 2.10 . 2 480 54 ASN N N 124.21 . 1 481 54 ASN H H 8.97 . 1 482 54 ASN CA C 50.84 . 1 483 54 ASN HA H 4.97 . 1 484 54 ASN CB C 38.24 . 1 485 54 ASN HB2 H 0.10 . 2 486 54 ASN HB3 H 1.47 . 2 487 54 ASN ND2 N 104.00 . 1 488 54 ASN HD21 H 5.82 . 2 489 54 ASN HD22 H 6.50 . 2 490 55 LEU N N 117.21 . 1 491 55 LEU H H 7.63 . 1 492 55 LEU CA C 52.44 . 1 493 55 LEU HA H 5.76 . 1 494 55 LEU CB C 46.64 . 1 495 55 LEU HB2 H 1.60 . 1 496 55 LEU HB3 H 1.60 . 1 497 55 LEU CG C 27.24 . 1 498 55 LEU HG H 1.48 . 1 499 55 LEU HD1 H 0.60 . 1 500 55 LEU HD2 H 1.24 . 1 501 55 LEU CD1 C 23.44 . 1 502 55 LEU CD2 C 25.74 . 1 503 56 ALA N N 123.61 . 1 504 56 ALA H H 9.31 . 1 505 56 ALA CA C 51.84 . 1 506 56 ALA HA H 4.64 . 1 507 56 ALA HB H 1.60 . 1 508 56 ALA CB C 24.14 . 1 509 57 LYS N N 114.01 . 1 510 57 LYS H H 8.39 . 1 511 57 LYS CA C 54.54 . 1 512 57 LYS HA H 5.93 . 1 513 57 LYS CB C 36.94 . 1 514 57 LYS HB2 H 2.14 . 1 515 57 LYS HB3 H 1.90 . 1 516 57 LYS CG C 23.54 . 1 517 57 LYS HG2 H 1.42 . 2 518 57 LYS HG3 H 1.48 . 2 519 57 LYS CD C 30.74 . 1 520 57 LYS HD2 H 1.66 . 2 521 57 LYS HD3 H 1.99 . 2 522 57 LYS CE C 42.24 . 1 523 57 LYS HE2 H 2.86 . 2 524 57 LYS HE3 H 2.89 . 2 525 58 GLY N N 107.01 . 1 526 58 GLY H H 8.20 . 1 527 58 GLY CA C 44.44 . 1 528 58 GLY HA2 H 2.19 . 2 529 58 GLY HA3 H 3.27 . 2 530 59 GLY N N 105.61 . 1 531 59 GLY H H 7.07 . 1 532 59 GLY CA C 41.84 . 1 533 59 GLY HA2 H 2.71 . 2 534 59 GLY HA3 H 3.65 . 2 535 60 GLY N N 105.11 . 1 536 60 GLY H H 8.07 . 1 537 60 GLY CA C 46.04 . 1 538 60 GLY HA2 H 3.73 . 2 539 60 GLY HA3 H 3.81 . 2 540 61 ASP N N 124.41 . 1 541 61 ASP H H 8.56 . 1 542 61 ASP CA C 52.84 . 1 543 61 ASP HA H 4.71 . 1 544 61 ASP CB C 39.54 . 1 545 61 ASP HB2 H 2.43 . 2 546 61 ASP HB3 H 2.62 . 2 547 62 PHE N N 121.81 . 1 548 62 PHE H H 7.03 . 1 549 62 PHE CA C 58.34 . 1 550 62 PHE HA H 4.31 . 1 551 62 PHE CB C 38.94 . 1 552 62 PHE HB2 H 2.98 . 1 553 62 PHE HB3 H 2.88 . 1 554 62 PHE HD1 H 7.14 . 1 555 62 PHE HD2 H 7.14 . 1 556 62 PHE HE1 H 6.83 . 1 557 62 PHE HE2 H 6.83 . 1 558 62 PHE CD1 C 132.24 . 3 559 62 PHE CE1 C 130.34 . 3 560 62 PHE CZ C 128.14 . 1 561 62 PHE HZ H 6.76 . 1 562 63 THR N N 118.41 . 1 563 63 THR H H 6.81 . 1 564 63 THR CA C 59.64 . 1 565 63 THR HA H 3.90 . 1 566 63 THR CB C 71.54 . 1 567 63 THR HB H 4.15 . 1 568 63 THR HG2 H 0.93 . 1 569 63 THR CG2 C 21.54 . 1 570 64 GLY N N 105.61 . 1 571 64 GLY H H 8.63 . 1 572 64 GLY CA C 48.64 . 1 573 64 GLY HA2 H 2.90 . 2 574 64 GLY HA3 H 3.34 . 2 575 65 ARG N N 116.61 . 1 576 65 ARG H H 7.38 . 1 577 65 ARG CA C 59.74 . 1 578 65 ARG HA H 3.36 . 1 579 65 ARG CB C 30.64 . 1 580 65 ARG HB2 H 1.46 . 1 581 65 ARG HB3 H 1.40 . 1 582 65 ARG CG C 27.94 . 1 583 65 ARG HG2 H 1.18 . 2 584 65 ARG HG3 H 1.39 . 2 585 65 ARG CD C 42.74 . 1 586 65 ARG HD2 H 2.95 . 1 587 65 ARG HD3 H 2.95 . 1 588 65 ARG NE N 111.80 . 1 589 65 ARG HE H 7.28 . 1 590 66 ALA N N 120.31 . 1 591 66 ALA H H 7.23 . 1 592 66 ALA CA C 54.14 . 1 593 66 ALA HA H 3.72 . 1 594 66 ALA HB H 0.96 . 1 595 66 ALA CB C 17.84 . 1 596 67 ALA N N 120.81 . 1 597 67 ALA H H 7.34 . 1 598 67 ALA CA C 54.44 . 1 599 67 ALA HA H 3.24 . 1 600 67 ALA HB H 0.79 . 1 601 67 ALA CB C 18.14 . 1 602 68 VAL N N 112.81 . 1 603 68 VAL H H 7.18 . 1 604 68 VAL CA C 64.24 . 1 605 68 VAL HA H 3.15 . 1 606 68 VAL CB C 30.94 . 1 607 68 VAL HB H 1.75 . 1 608 68 VAL HG1 H 0.66 . 1 609 68 VAL HG2 H 1.36 . 1 610 68 VAL CG1 C 21.84 . 1 611 68 VAL CG2 C 22.24 . 1 612 69 GLN N N 117.41 . 1 613 69 GLN H H 8.20 . 1 614 69 GLN CA C 59.04 . 1 615 69 GLN HA H 3.75 . 1 616 69 GLN CB C 27.74 . 1 617 69 GLN HB2 H 2.06 . 1 618 69 GLN HB3 H 1.86 . 1 619 69 GLN CG C 34.34 . 1 620 69 GLN HG2 H 2.25 . 2 621 69 GLN HG3 H 2.43 . 2 622 69 GLN NE2 N 110.00 . 1 623 69 GLN HE21 H 6.61 . 2 624 69 GLN HE22 H 7.17 . 2 625 70 LEU N N 121.81 . 1 626 70 LEU H H 7.60 . 1 627 70 LEU CA C 58.04 . 1 628 70 LEU HA H 4.12 . 1 629 70 LEU CB C 41.24 . 1 630 70 LEU HB2 H 1.60 . 1 631 70 LEU HB3 H 1.89 . 1 632 70 LEU CG C 26.64 . 1 633 70 LEU HG H 1.66 . 1 634 70 LEU HD1 H 1.01 . 1 635 70 LEU HD2 H 1.01 . 1 636 70 LEU CD1 C 23.84 . 2 637 70 LEU CD2 C 25.44 . 2 638 71 TRP N N 122.71 . 1 639 71 TRP H H 7.36 . 1 640 71 TRP CA C 59.04 . 1 641 71 TRP HA H 4.62 . 1 642 71 TRP CB C 28.54 . 1 643 71 TRP HB2 H 3.58 . 1 644 71 TRP HB3 H 2.73 . 1 645 71 TRP CD1 C 125.54 . 1 646 71 TRP CE3 C 120.54 . 1 647 71 TRP NE1 N 126.30 . 1 648 71 TRP HD1 H 6.82 . 1 649 71 TRP HE3 H 7.28 . 1 650 71 TRP CZ3 C 122.64 . 1 651 71 TRP CZ2 C 114.04 . 1 652 71 TRP HE1 H 9.07 . 1 653 71 TRP HZ3 H 7.36 . 1 654 71 TRP CH2 C 124.64 . 1 655 71 TRP HZ2 H 6.80 . 1 656 71 TRP HH2 H 6.96 . 1 657 72 VAL N N 116.51 . 1 658 72 VAL H H 8.76 . 1 659 72 VAL CA C 66.24 . 1 660 72 VAL HA H 4.00 . 1 661 72 VAL CB C 31.54 . 1 662 72 VAL HB H 2.23 . 1 663 72 VAL HG1 H 1.12 . 1 664 72 VAL HG2 H 1.09 . 1 665 72 VAL CG1 C 22.04 . 1 666 72 VAL CG2 C 24.44 . 1 667 73 SER N N 117.31 . 1 668 73 SER H H 8.30 . 1 669 73 SER CA C 60.94 . 1 670 73 SER HA H 4.34 . 1 671 73 SER CB C 62.54 . 1 672 73 SER HB2 H 4.14 . 1 673 73 SER HB3 H 4.14 . 1 674 74 GLU N N 118.91 . 1 675 74 GLU H H 7.44 . 1 676 74 GLU CA C 56.44 . 1 677 74 GLU HA H 4.41 . 1 678 74 GLU CB C 30.44 . 1 679 74 GLU HB2 H 2.52 . 1 680 74 GLU HB3 H 2.63 . 1 681 74 GLU CG C 35.64 . 1 682 74 GLU HG2 H 2.75 . 1 683 74 GLU HG3 H 2.75 . 1 684 75 ARG N N 119.41 . 1 685 75 ARG H H 7.68 . 1 686 75 ARG CA C 61.54 . 1 687 75 ARG HA H 2.93 . 1 688 75 ARG CB C 28.24 . 1 689 75 ARG HB2 H 1.31 . 1 690 75 ARG HB3 H 1.72 . 1 691 75 ARG CG C 26.64 . 1 692 75 ARG HG2 H 1.32 . 1 693 75 ARG HG3 H 1.32 . 1 694 75 ARG CD C 43.84 . 1 695 75 ARG HD2 H 3.08 . 2 696 75 ARG HD3 H 3.16 . 2 697 76 PRO CD C 49.64 . 1 698 76 PRO CA C 65.14 . 1 699 76 PRO HA H 4.54 . 1 700 76 PRO CB C 30.84 . 1 701 76 PRO HB2 H 1.89 . 2 702 76 PRO HB3 H 2.33 . 2 703 76 PRO CG C 27.94 . 1 704 76 PRO HG2 H 1.96 . 2 705 76 PRO HG3 H 2.02 . 2 706 76 PRO HD2 H 3.51 . 2 707 76 PRO HD3 H 3.74 . 2 708 77 SER N N 112.51 . 1 709 77 SER H H 8.29 . 1 710 77 SER CA C 57.94 . 1 711 77 SER HA H 4.51 . 1 712 77 SER CB C 63.14 . 1 713 77 SER HB2 H 4.06 . 1 714 77 SER HB3 H 4.23 . 1 715 78 TYR N N 121.31 . 1 716 78 TYR H H 8.05 . 1 717 78 TYR CA C 56.74 . 1 718 78 TYR HA H 5.10 . 1 719 78 TYR CB C 39.34 . 1 720 78 TYR HB2 H 2.78 . 1 721 78 TYR HB3 H 3.20 . 1 722 78 TYR HD1 H 7.26 . 1 723 78 TYR HD2 H 7.26 . 1 724 78 TYR HE1 H 6.98 . 1 725 78 TYR HE2 H 6.98 . 1 726 78 TYR CD1 C 133.34 . 3 727 78 TYR CE1 C 118.84 . 3 728 79 ASN N N 127.71 . 1 729 79 ASN H H 8.23 . 1 730 79 ASN CA C 51.24 . 1 731 79 ASN HA H 4.67 . 1 732 79 ASN CB C 39.34 . 1 733 79 ASN HB2 H 2.26 . 2 734 79 ASN HB3 H 3.00 . 2 735 80 TYR N N 126.31 . 1 736 80 TYR H H 8.53 . 1 737 80 TYR CA C 60.94 . 1 738 80 TYR HA H 3.79 . 1 739 80 TYR CB C 39.24 . 1 740 80 TYR HB2 H 3.08 . 1 741 80 TYR HB3 H 2.85 . 1 742 80 TYR HD1 H 7.01 . 1 743 80 TYR HD2 H 7.01 . 1 744 80 TYR HE1 H 6.65 . 1 745 80 TYR HE2 H 6.65 . 1 746 80 TYR CD1 C 134.44 . 3 747 80 TYR CE1 C 117.74 . 3 748 81 ALA N N 119.41 . 1 749 81 ALA H H 8.20 . 1 750 81 ALA CA C 55.34 . 1 751 81 ALA HA H 3.98 . 1 752 81 ALA HB H 1.51 . 1 753 81 ALA CB C 18.04 . 1 754 82 THR N N 104.11 . 1 755 82 THR H H 7.27 . 1 756 82 THR CA C 60.74 . 1 757 82 THR HA H 4.26 . 1 758 82 THR CB C 69.34 . 1 759 82 THR HB H 4.27 . 1 760 82 THR HG2 H 1.05 . 1 761 82 THR CG2 C 21.64 . 1 762 83 ASN N N 121.31 . 1 763 83 ASN H H 8.14 . 1 764 83 ASN CA C 53.14 . 1 765 83 ASN HA H 4.27 . 1 766 83 ASN CB C 37.54 . 1 767 83 ASN HB2 H 1.96 . 1 768 83 ASN HB3 H 3.42 . 1 769 83 ASN ND2 N 112.10 . 1 770 83 ASN HD21 H 6.68 . 2 771 83 ASN HD22 H 7.97 . 2 772 84 GLN N N 114.61 . 1 773 84 GLN H H 7.54 . 1 774 84 GLN CA C 53.94 . 1 775 84 GLN HA H 4.78 . 1 776 84 GLN CB C 33.14 . 1 777 84 GLN HB2 H 2.17 . 2 778 84 GLN HB3 H 1.74 . 2 779 84 GLN CG C 33.14 . 1 780 84 GLN HG2 H 2.35 . 1 781 84 GLN HG3 H 2.35 . 1 782 85 CYS N N 117.51 . 1 783 85 CYS H H 8.66 . 1 784 85 CYS CA C 51.84 . 1 785 85 CYS HA H 5.79 . 1 786 85 CYS CB C 35.64 . 1 787 85 CYS HB2 H 2.75 . 1 788 85 CYS HB3 H 3.65 . 1 789 86 VAL N N 123.51 . 1 790 86 VAL H H 9.03 . 1 791 86 VAL CA C 62.24 . 1 792 86 VAL HA H 4.17 . 1 793 86 VAL CB C 33.64 . 1 794 86 VAL HB H 2.01 . 1 795 86 VAL CG1 C 20.64 . 1 796 86 VAL CG2 C 21.34 . 1 797 86 VAL HG1 H 1.00 . 1 798 86 VAL HG2 H 1.00 . 1 799 87 GLY N N 111.21 . 1 800 87 GLY H H 8.70 . 1 801 87 GLY CA C 46.74 . 1 802 87 GLY HA2 H 3.87 . 1 803 87 GLY HA3 H 3.87 . 1 804 88 GLY N N 108.71 . 1 805 88 GLY H H 8.66 . 1 806 88 GLY CA C 45.24 . 1 807 88 GLY HA2 H 3.75 . 2 808 88 GLY HA3 H 4.09 . 2 809 89 LYS N N 119.31 . 1 810 89 LYS H H 7.66 . 1 811 89 LYS CA C 54.84 . 1 812 89 LYS HA H 4.53 . 1 813 89 LYS CB C 33.74 . 1 814 89 LYS HB2 H 2.00 . 1 815 89 LYS HB3 H 2.07 . 1 816 89 LYS CG C 25.34 . 1 817 89 LYS HG2 H 1.44 . 2 818 89 LYS HG3 H 1.54 . 2 819 89 LYS CD C 28.54 . 1 820 89 LYS HD2 H 1.70 . 2 821 89 LYS HD3 H 1.75 . 2 822 89 LYS CE C 42.14 . 1 823 89 LYS HE2 H 3.03 . 2 824 89 LYS HE3 H 3.07 . 2 825 90 LYS N N 119.61 . 1 826 90 LYS H H 8.35 . 1 827 90 LYS CA C 56.44 . 1 828 90 LYS HA H 4.44 . 1 829 90 LYS CB C 33.04 . 1 830 90 LYS HB2 H 1.97 . 1 831 90 LYS HB3 H 1.97 . 1 832 90 LYS CG C 24.94 . 1 833 90 LYS HG2 H 1.59 . 2 834 90 LYS HG3 H 1.70 . 2 835 90 LYS CD C 29.14 . 1 836 90 LYS HD2 H 1.82 . 1 837 90 LYS HD3 H 1.82 . 1 838 90 LYS CE C 42.14 . 1 839 90 LYS HE2 H 3.13 . 1 840 90 LYS HE3 H 3.13 . 1 841 91 CYS N N 118.01 . 1 842 91 CYS H H 8.46 . 1 843 91 CYS CA C 58.64 . 1 844 91 CYS HA H 5.68 . 1 845 91 CYS CB C 36.94 . 1 846 91 CYS HB2 H 2.93 . 2 847 91 CYS HB3 H 3.00 . 2 848 92 ARG N N 118.21 . 1 849 92 ARG H H 8.00 . 1 850 92 ARG CA C 55.74 . 1 851 92 ARG HA H 4.84 . 1 852 92 ARG CB C 28.84 . 1 853 92 ARG HB2 H 1.69 . 1 854 92 ARG HB3 H 1.69 . 1 855 92 ARG CG C 26.44 . 1 856 92 ARG HG2 H 1.47 . 2 857 92 ARG HG3 H 1.53 . 2 858 92 ARG CD C 42.84 . 1 859 92 ARG HD2 H 2.92 . 2 860 92 ARG HD3 H 3.09 . 2 861 93 HIS N N 121.21 . 1 862 93 HIS H H 8.88 . 1 863 93 HIS CA C 58.74 . 1 864 93 HIS HA H 4.82 . 1 865 93 HIS CB C 27.24 . 1 866 93 HIS HB2 H 2.53 . 2 867 93 HIS HB3 H 3.35 . 2 868 93 HIS HD2 H 6.94 . 1 869 94 TYR N N 121.61 . 1 870 94 TYR H H 8.24 . 1 871 94 TYR CA C 62.14 . 1 872 94 TYR HA H 3.84 . 1 873 94 TYR CB C 38.34 . 1 874 94 TYR HB2 H 2.97 . 2 875 94 TYR HB3 H 3.93 . 2 876 94 TYR HD1 H 6.66 . 1 877 94 TYR HD2 H 6.66 . 1 878 94 TYR HE1 H 7.07 . 1 879 94 TYR HE2 H 7.07 . 1 880 94 TYR CD1 C 132.54 . 3 881 94 TYR CE1 C 118.14 . 3 882 95 THR N N 105.61 . 1 883 95 THR H H 7.94 . 1 884 95 THR CA C 66.04 . 1 885 95 THR HA H 3.31 . 1 886 95 THR CB C 67.54 . 1 887 95 THR HB H 4.12 . 1 888 95 THR HG2 H 0.58 . 1 889 95 THR HG1 H 6.16 . 1 890 95 THR CG2 C 21.34 . 1 891 96 GLN N N 116.31 . 1 892 96 GLN H H 6.64 . 1 893 96 GLN CA C 56.74 . 1 894 96 GLN HA H 4.21 . 1 895 96 GLN CB C 29.14 . 1 896 96 GLN HB2 H 1.63 . 2 897 96 GLN HB3 H 1.69 . 2 898 96 GLN CG C 33.64 . 1 899 96 GLN HG2 H 0.21 . 2 900 96 GLN HG3 H 0.91 . 2 901 96 GLN NE2 N 115.40 . 1 902 96 GLN HE21 H 6.67 . 2 903 96 GLN HE22 H 8.00 . 2 904 97 VAL N N 122.11 . 1 905 97 VAL H H 7.63 . 1 906 97 VAL CA C 67.84 . 1 907 97 VAL HA H 3.78 . 1 908 97 VAL CB C 30.54 . 1 909 97 VAL HB H 2.47 . 1 910 97 VAL HG1 H 0.95 . 1 911 97 VAL HG2 H 1.14 . 1 912 97 VAL CG1 C 21.54 . 1 913 97 VAL CG2 C 22.94 . 1 914 98 VAL N N 103.61 . 1 915 98 VAL H H 6.92 . 1 916 98 VAL CA C 59.94 . 1 917 98 VAL HA H 4.31 . 1 918 98 VAL CB C 29.84 . 1 919 98 VAL HB H 2.43 . 1 920 98 VAL HG1 H 0.45 . 1 921 98 VAL HG2 H 0.50 . 1 922 98 VAL CG1 C 17.04 . 1 923 98 VAL CG2 C 21.14 . 1 924 99 TRP N N 118.51 . 1 925 99 TRP H H 6.74 . 1 926 99 TRP CA C 58.94 . 1 927 99 TRP HA H 4.17 . 1 928 99 TRP CB C 28.24 . 1 929 99 TRP HB2 H 3.60 . 1 930 99 TRP HB3 H 3.28 . 1 931 99 TRP CD1 C 128.14 . 1 932 99 TRP CE3 C 121.84 . 1 933 99 TRP NE1 N 132.10 . 1 934 99 TRP HD1 H 7.28 . 1 935 99 TRP HE3 H 7.95 . 1 936 99 TRP CZ3 C 122.04 . 1 937 99 TRP CZ2 C 115.14 . 1 938 99 TRP HE1 H 10.96 . 1 939 99 TRP HZ3 H 7.16 . 1 940 99 TRP CH2 C 125.94 . 1 941 99 TRP HZ2 H 7.78 . 1 942 99 TRP HH2 H 7.33 . 1 943 100 ARG N N 136.51 . 1 944 100 ARG H H 9.41 . 1 945 100 ARG CA C 59.94 . 1 946 100 ARG HA H 3.83 . 1 947 100 ARG CB C 29.84 . 1 948 100 ARG HB2 H 2.03 . 1 949 100 ARG HB3 H 1.77 . 1 950 100 ARG CG C 26.74 . 1 951 100 ARG HG2 H 1.39 . 2 952 100 ARG HG3 H 1.76 . 2 953 100 ARG CD C 43.14 . 1 954 100 ARG HD2 H 3.17 . 2 955 100 ARG HD3 H 3.43 . 2 956 100 ARG NE N 114.50 . 1 957 100 ARG HE H 7.29 . 1 958 101 ASN N N 110.81 . 1 959 101 ASN H H 8.04 . 1 960 101 ASN CA C 53.54 . 1 961 101 ASN HA H 4.63 . 1 962 101 ASN CB C 38.24 . 1 963 101 ASN HB2 H 2.86 . 2 964 101 ASN HB3 H 3.05 . 2 965 101 ASN ND2 N 111.10 . 1 966 101 ASN HD21 H 6.84 . 2 967 101 ASN HD22 H 7.83 . 2 968 102 SER N N 118.41 . 1 969 102 SER H H 8.20 . 1 970 102 SER CA C 59.24 . 1 971 102 SER HA H 4.65 . 1 972 102 SER CB C 63.14 . 1 973 102 SER HB2 H 3.83 . 2 974 102 SER HB3 H 4.25 . 2 975 102 SER HG H 4.91 . 1 976 103 VAL N N 113.51 . 1 977 103 VAL H H 7.31 . 1 978 103 VAL CA C 61.24 . 1 979 103 VAL HA H 4.63 . 1 980 103 VAL CB C 33.04 . 1 981 103 VAL HB H 2.48 . 1 982 103 VAL HG1 H 0.94 . 1 983 103 VAL HG2 H 0.97 . 1 984 103 VAL CG1 C 18.14 . 1 985 103 VAL CG2 C 21.74 . 1 986 104 ARG N N 123.61 . 1 987 104 ARG H H 8.64 . 1 988 104 ARG CA C 54.74 . 1 989 104 ARG HA H 5.27 . 1 990 104 ARG CB C 33.74 . 1 991 104 ARG HB2 H 1.47 . 2 992 104 ARG HB3 H 1.98 . 2 993 104 ARG CG C 28.54 . 1 994 104 ARG HG2 H 1.57 . 1 995 104 ARG HG3 H 1.57 . 1 996 104 ARG CD C 42.44 . 1 997 104 ARG HD2 H 3.19 . 2 998 104 ARG HD3 H 3.36 . 2 999 104 ARG NE N 113.00 . 1 1000 104 ARG HE H 7.58 . 1 1001 105 LEU N N 122.21 . 1 1002 105 LEU H H 8.38 . 1 1003 105 LEU CA C 51.84 . 1 1004 105 LEU HA H 4.71 . 1 1005 105 LEU CB C 47.34 . 1 1006 105 LEU HB2 H 1.09 . 1 1007 105 LEU HB3 H 1.30 . 1 1008 105 LEU CG C 26.64 . 1 1009 105 LEU HG H 1.01 . 1 1010 105 LEU HD1 H -0.06 . 2 1011 105 LEU HD2 H 0.41 . 2 1012 105 LEU CD1 C 23.04 . 2 1013 105 LEU CD2 C 25.64 . 2 1014 106 GLY N N 107.51 . 1 1015 106 GLY H H 7.47 . 1 1016 106 GLY CA C 45.04 . 1 1017 106 GLY HA2 H 1.93 . 2 1018 106 GLY HA3 H 2.66 . 2 1019 107 CYS N N 121.61 . 1 1020 107 CYS H H 6.21 . 1 1021 107 CYS CA C 55.04 . 1 1022 107 CYS HA H 5.75 . 1 1023 107 CYS CB C 50.84 . 1 1024 107 CYS HB2 H 1.85 . 1 1025 107 CYS HB3 H 2.60 . 1 1026 108 GLY N N 107.01 . 1 1027 108 GLY H H 9.27 . 1 1028 108 GLY CA C 44.44 . 1 1029 108 GLY HA2 H 4.51 . 1 1030 108 GLY HA3 H 3.25 . 1 1031 109 ARG N N 118.81 . 1 1032 109 ARG H H 8.13 . 1 1033 109 ARG CA C 54.74 . 1 1034 109 ARG HA H 5.87 . 1 1035 109 ARG CB C 33.74 . 1 1036 109 ARG HB2 H 1.82 . 1 1037 109 ARG HB3 H 1.82 . 1 1038 109 ARG CG C 28.84 . 1 1039 109 ARG HG2 H 1.56 . 2 1040 109 ARG HG3 H 1.71 . 2 1041 109 ARG CD C 43.64 . 1 1042 109 ARG HD2 H 2.63 . 2 1043 109 ARG HD3 H 2.81 . 2 1044 109 ARG NE N 111.30 . 1 1045 109 ARG HE H 6.35 . 1 1046 110 ALA N N 131.51 . 1 1047 110 ALA H H 10.13 . 1 1048 110 ALA CA C 50.84 . 1 1049 110 ALA HA H 5.17 . 1 1050 110 ALA HB H 1.39 . 1 1051 110 ALA CB C 23.64 . 1 1052 111 ARG N N 123.21 . 1 1053 111 ARG H H 8.67 . 1 1054 111 ARG CA C 55.04 . 1 1055 111 ARG HA H 4.01 . 1 1056 111 ARG CB C 30.24 . 1 1057 111 ARG HB2 H 1.40 . 1 1058 111 ARG HB3 H 0.61 . 1 1059 111 ARG CG C 26.24 . 1 1060 111 ARG HG2 H 0.35 . 2 1061 111 ARG HG3 H 1.28 . 2 1062 111 ARG CD C 42.84 . 1 1063 111 ARG HD2 H 2.30 . 1 1064 111 ARG HD3 H 2.30 . 1 1065 112 CYS N N 126.01 . 1 1066 112 CYS H H 9.75 . 1 1067 112 CYS CA C 55.14 . 1 1068 112 CYS HA H 4.71 . 1 1069 112 CYS CB C 39.64 . 1 1070 112 CYS HB2 H 3.32 . 1 1071 112 CYS HB3 H 3.61 . 1 1072 113 ASN N N 122.31 . 1 1073 113 ASN H H 8.81 . 1 1074 113 ASN CA C 55.44 . 1 1075 113 ASN HA H 4.30 . 1 1076 113 ASN CB C 37.24 . 1 1077 113 ASN HB2 H 2.85 . 1 1078 113 ASN HB3 H 2.85 . 1 1079 113 ASN ND2 N 110.70 . 1 1080 113 ASN HD21 H 7.64 . 2 1081 113 ASN HD22 H 6.92 . 2 1082 114 ASN N N 114.91 . 1 1083 114 ASN H H 7.86 . 1 1084 114 ASN CA C 52.64 . 1 1085 114 ASN HA H 4.45 . 1 1086 114 ASN CB C 36.94 . 1 1087 114 ASN HB2 H 3.11 . 2 1088 114 ASN HB3 H 2.58 . 2 1089 115 GLY N N 107.51 . 1 1090 115 GLY H H 8.02 . 1 1091 115 GLY CA C 44.74 . 1 1092 115 GLY HA2 H 3.40 . 2 1093 115 GLY HA3 H 4.40 . 2 1094 116 TRP N N 122.51 . 1 1095 116 TRP H H 8.16 . 1 1096 116 TRP CA C 58.04 . 1 1097 116 TRP HA H 4.69 . 1 1098 116 TRP CB C 29.14 . 1 1099 116 TRP HB2 H 3.60 . 1 1100 116 TRP HB3 H 3.13 . 1 1101 116 TRP CD1 C 125.34 . 1 1102 116 TRP CE3 C 118.84 . 1 1103 116 TRP NE1 N 129.00 . 1 1104 116 TRP HD1 H 7.04 . 1 1105 116 TRP HE3 H 7.11 . 1 1106 116 TRP CZ3 C 121.34 . 1 1107 116 TRP CZ2 C 114.84 . 1 1108 116 TRP HE1 H 10.10 . 1 1109 116 TRP HZ3 H 6.97 . 1 1110 116 TRP CH2 C 124.74 . 1 1111 116 TRP HZ2 H 7.51 . 1 1112 116 TRP HH2 H 7.22 . 1 1113 117 TRP N N 118.21 . 1 1114 117 TRP H H 9.11 . 1 1115 117 TRP CA C 56.74 . 1 1116 117 TRP HA H 5.30 . 1 1117 117 TRP CB C 32.74 . 1 1118 117 TRP HB2 H 3.42 . 1 1119 117 TRP HB3 H 3.24 . 1 1120 117 TRP CD1 C 127.54 . 1 1121 117 TRP CE3 C 119.94 . 1 1122 117 TRP NE1 N 128.10 . 1 1123 117 TRP HD1 H 7.43 . 1 1124 117 TRP HE3 H 7.34 . 1 1125 117 TRP CZ3 C 122.54 . 1 1126 117 TRP CZ2 C 114.34 . 1 1127 117 TRP HE1 H 9.91 . 1 1128 117 TRP HZ3 H 7.02 . 1 1129 117 TRP CH2 C 124.34 . 1 1130 117 TRP HZ2 H 7.49 . 1 1131 117 TRP HH2 H 7.24 . 1 1132 118 PHE N N 123.41 . 1 1133 118 PHE H H 9.73 . 1 1134 118 PHE CA C 57.14 . 1 1135 118 PHE HA H 5.08 . 1 1136 118 PHE CB C 42.84 . 1 1137 118 PHE HB2 H 3.05 . 2 1138 118 PHE HB3 H 3.33 . 2 1139 118 PHE HD1 H 7.08 . 1 1140 118 PHE HD2 H 7.08 . 1 1141 118 PHE HE1 H 7.11 . 1 1142 118 PHE HE2 H 7.11 . 1 1143 118 PHE CD1 C 131.24 . 3 1144 118 PHE CE1 C 131.24 . 3 1145 118 PHE CZ C 129.24 . 1 1146 118 PHE HZ H 7.19 . 1 1147 119 ILE N N 129.21 . 1 1148 119 ILE H H 9.37 . 1 1149 119 ILE CA C 60.54 . 1 1150 119 ILE HA H 5.39 . 1 1151 119 ILE CB C 42.44 . 1 1152 119 ILE HB H 1.67 . 1 1153 119 ILE HG2 H 1.21 . 1 1154 119 ILE CG2 C 19.74 . 1 1155 119 ILE CG1 C 30.84 . 1 1156 119 ILE HG12 H 1.31 . 2 1157 119 ILE HG13 H 1.72 . 2 1158 119 ILE HD1 H 0.76 . 1 1159 119 ILE CD1 C 15.94 . 1 1160 120 SER N N 117.51 . 1 1161 120 SER H H 8.50 . 1 1162 120 SER CA C 54.74 . 1 1163 120 SER HA H 5.69 . 1 1164 120 SER CB C 65.84 . 1 1165 120 SER HB2 H 3.88 . 1 1166 120 SER HB3 H 3.88 . 1 1167 121 CYS N N 121.01 . 1 1168 121 CYS H H 9.28 . 1 1169 121 CYS CA C 55.44 . 1 1170 121 CYS HA H 5.12 . 1 1171 121 CYS CB C 45.74 . 1 1172 121 CYS HB2 H 2.50 . 2 1173 121 CYS HB3 H 2.94 . 2 1174 122 ASN N N 119.71 . 1 1175 122 ASN H H 9.12 . 1 1176 122 ASN CA C 51.94 . 1 1177 122 ASN HA H 5.62 . 1 1178 122 ASN CB C 42.54 . 1 1179 122 ASN HB2 H 2.11 . 1 1180 122 ASN HB3 H 2.65 . 1 1181 122 ASN ND2 N 106.10 . 1 1182 122 ASN HD21 H 6.61 . 2 1183 122 ASN HD22 H 6.92 . 2 1184 123 TYR N N 116.61 . 1 1185 123 TYR H H 7.78 . 1 1186 123 TYR CA C 56.74 . 1 1187 123 TYR HA H 4.81 . 1 1188 123 TYR CB C 42.44 . 1 1189 123 TYR HB2 H 2.21 . 1 1190 123 TYR HB3 H 2.53 . 1 1191 123 TYR HD1 H 6.71 . 1 1192 123 TYR HD2 H 6.71 . 1 1193 123 TYR HE1 H 6.44 . 1 1194 123 TYR HE2 H 6.44 . 1 1195 123 TYR CD1 C 133.04 . 3 1196 123 TYR CE1 C 117.44 . 3 1197 123 TYR HH H 13.03 . 1 1198 124 ASP N N 119.41 . 1 1199 124 ASP H H 8.62 . 1 1200 124 ASP CA C 52.14 . 1 1201 124 ASP HA H 4.88 . 1 1202 124 ASP CB C 48.24 . 1 1203 124 ASP HB2 H 2.40 . 1 1204 124 ASP HB3 H 2.40 . 1 1205 125 PRO CD C 50.24 . 1 1206 125 PRO CA C 63.74 . 1 1207 125 PRO HA H 5.01 . 1 1208 125 PRO CB C 34.44 . 1 1209 125 PRO HB2 H 2.04 . 2 1210 125 PRO HB3 H 2.60 . 2 1211 125 PRO CG C 26.24 . 1 1212 125 PRO HG2 H 1.88 . 2 1213 125 PRO HG3 H 2.00 . 2 1214 125 PRO HD2 H 3.53 . 2 1215 125 PRO HD3 H 4.50 . 2 1216 126 VAL N N 116.41 . 1 1217 126 VAL H H 8.58 . 1 1218 126 VAL CA C 62.84 . 1 1219 126 VAL HA H 3.61 . 1 1220 126 VAL CB C 32.44 . 1 1221 126 VAL HB H 1.73 . 1 1222 126 VAL HG1 H 0.95 . 1 1223 126 VAL HG2 H 0.67 . 1 1224 126 VAL CG1 C 19.04 . 1 1225 126 VAL CG2 C 21.34 . 1 1226 127 GLY N N 107.51 . 1 1227 127 GLY H H 7.29 . 1 1228 127 GLY CA C 40.24 . 1 1229 127 GLY HA2 H 1.62 . 2 1230 127 GLY HA3 H 2.84 . 2 1231 128 ASN N N 107.41 . 1 1232 128 ASN H H 3.61 . 1 1233 128 ASN CA C 53.14 . 1 1234 128 ASN HA H 3.49 . 1 1235 128 ASN CB C 34.64 . 1 1236 128 ASN HB2 H 2.30 . 2 1237 128 ASN HB3 H 2.64 . 2 1238 128 ASN ND2 N 111.40 . 1 1239 128 ASN HD21 H 6.96 . 2 1240 128 ASN HD22 H 7.45 . 2 1241 129 TRP N N 118.91 . 1 1242 129 TRP H H 5.73 . 1 1243 129 TRP CA C 56.34 . 1 1244 129 TRP HA H 4.17 . 1 1245 129 TRP CB C 29.44 . 1 1246 129 TRP HB2 H 3.35 . 1 1247 129 TRP HB3 H 2.75 . 1 1248 129 TRP CD1 C 125.84 . 1 1249 129 TRP CE3 C 120.94 . 1 1250 129 TRP NE1 N 129.20 . 1 1251 129 TRP HD1 H 6.91 . 1 1252 129 TRP HE3 H 7.71 . 1 1253 129 TRP CZ3 C 122.14 . 1 1254 129 TRP CZ2 C 114.74 . 1 1255 129 TRP HE1 H 9.58 . 1 1256 129 TRP HZ3 H 7.14 . 1 1257 129 TRP CH2 C 124.94 . 1 1258 129 TRP HZ2 H 7.37 . 1 1259 129 TRP HH2 H 7.21 . 1 1260 130 ILE N N 125.91 . 1 1261 130 ILE H H 8.54 . 1 1262 130 ILE CA C 62.54 . 1 1263 130 ILE HA H 3.93 . 1 1264 130 ILE CB C 37.54 . 1 1265 130 ILE HB H 1.86 . 1 1266 130 ILE HG2 H 0.96 . 1 1267 130 ILE CG2 C 16.84 . 1 1268 130 ILE CG1 C 28.24 . 1 1269 130 ILE HG12 H 1.28 . 2 1270 130 ILE HG13 H 1.60 . 2 1271 130 ILE HD1 H 0.90 . 1 1272 130 ILE CD1 C 12.64 . 1 1273 131 GLY N N 113.51 . 1 1274 131 GLY H H 9.04 . 1 1275 131 GLY CA C 45.04 . 1 1276 131 GLY HA2 H 3.80 . 2 1277 131 GLY HA3 H 4.23 . 2 1278 132 GLN N N 117.51 . 1 1279 132 GLN H H 7.79 . 1 1280 132 GLN CA C 54.24 . 1 1281 132 GLN HA H 4.66 . 1 1282 132 GLN CB C 31.74 . 1 1283 132 GLN HB2 H 2.20 . 2 1284 132 GLN HB3 H 2.30 . 2 1285 132 GLN CG C 33.44 . 1 1286 132 GLN HG2 H 2.41 . 1 1287 132 GLN HG3 H 2.41 . 1 1288 132 GLN NE2 N 111.60 . 1 1289 132 GLN HE21 H 6.52 . 2 1290 132 GLN HE22 H 7.47 . 2 1291 133 ARG N N 120.31 . 1 1292 133 ARG H H 8.51 . 1 1293 133 ARG CA C 53.64 . 1 1294 133 ARG HA H 4.53 . 1 1295 133 ARG CB C 31.24 . 1 1296 133 ARG HB2 H 1.43 . 1 1297 133 ARG HB3 H 1.43 . 1 1298 133 ARG CG C 28.24 . 1 1299 133 ARG HG2 H 1.10 . 2 1300 133 ARG HG3 H 1.61 . 2 1301 133 ARG CD C 42.44 . 1 1302 133 ARG HD2 H 2.25 . 2 1303 133 ARG HD3 H 2.78 . 2 1304 134 PRO CD C 50.54 . 1 1305 134 PRO CA C 63.24 . 1 1306 134 PRO HA H 2.27 . 1 1307 134 PRO CB C 31.84 . 1 1308 134 PRO HB2 H 1.94 . 1 1309 134 PRO HB3 H 2.46 . 1 1310 134 PRO CG C 27.24 . 1 1311 134 PRO HG2 H 1.65 . 2 1312 134 PRO HG3 H 1.82 . 2 1313 134 PRO HD2 H 3.71 . 1 1314 134 PRO HD3 H 3.71 . 1 1315 135 TYR N N 115.11 . 1 1316 135 TYR H H 6.37 . 1 1317 135 TYR CA C 57.04 . 1 1318 135 TYR HA H 4.27 . 1 1319 135 TYR CB C 38.64 . 1 1320 135 TYR HB2 H 2.87 . 2 1321 135 TYR HB3 H 3.00 . 2 1322 135 TYR HD1 H 6.87 . 1 1323 135 TYR HD2 H 6.87 . 1 1324 135 TYR HE1 H 6.44 . 1 1325 135 TYR HE2 H 6.44 . 1 1326 135 TYR CD1 C 133.74 . 3 1327 135 TYR CE1 C 117.34 . 3 stop_ save_