data_4301 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments of the Pathogenesis-related Protein P14a ; _BMRB_accession_number 4301 _BMRB_flat_file_name bmr4301.str _Entry_type original _Submission_date 1999-01-26 _Accession_date 1999-01-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . 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_ 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_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-03-01 original author . stop_ _Original_release_date 1999-03-01 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 _CAS_abstract_code . _MEDLINE_UI_code 97220236 _PubMed_ID ? 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 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 576 _Page_last 593 _Year 1997 _Details . loop_ _Keyword 'isotope labeling' NMR 'nuclear magnetic resonance' 'plant defense' 'plant pathogenesis-related proteins' 'protein structure' 'sequential resonance assignments' stop_ save_ ################################## # Molecular system description # ################################## save_system_P14a _Saveframe_category molecular_system _Mol_system_name 'Pathogenesis-related Protein P14a' _Abbreviation_common P14a _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label P14a $P14a stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'antifungal activity' 'molecular mechanism unknown' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_P14a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Pathogenesis-related Protein P14a' _Abbreviation_common P14a _Molecular_mass 14800 _Mol_thiol_state . _Details ; The peptide bond between residues Asp 124 and Pro 125 is in the cis configuration ; ############################## # 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 . _Sequence_homology_query_revised_last_date 2015-03-16 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" 99.26 135 100.00 100.00 3.16e-92 EMBL CAA48672 "P1(p14) protein [Solanum lycopersicum]" 100.00 159 100.00 100.00 1.34e-93 EMBL CAA70042 "PR protein [Solanum lycopersicum]" 100.00 159 100.00 100.00 1.34e-93 GB AAA03616 "pathogenesis-related protein P6 [Solanum lycopersicum]" 100.00 159 100.00 100.00 1.34e-93 GB ABA41593 "pathogenesis-related protein [Solanum lycopersicum]" 100.00 136 100.00 100.00 2.86e-93 REF NP_001234314 "pathogenesis-related leaf protein 6 precursor [Solanum lycopersicum]" 100.00 159 100.00 100.00 1.34e-93 SP P04284 "RecName: Full=Pathogenesis-related leaf protein 6; Short=P6; AltName: Full=Ethylene-induced protein P1; AltName: Full=P14; AltN" 100.00 159 100.00 100.00 1.34e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $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 _Genus _Species _Strain _Vector_name $P14a 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . 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 _Details . 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 _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $P14a 1.5 mM [U-13C;U-15N] H2O 90 % . D2O 10 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX600 _Field_strength 600 _Details . save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX500 _Field_strength 500 _Details . save_ save_NMR_spectrometer_three _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 750 _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_p14a _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . n/a temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_p14a _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . . . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal . . . . 1 DSS N 15 'methyl protons' ppm 0.0 . . . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . 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 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 GLN CA C 57.4 . 1 2 . 1 GLN HA H 3.96 . 1 3 . 1 GLN CB C 28.7 . 1 4 . 1 GLN HB2 H 1.92 . 2 5 . 1 GLN HB3 H 1.95 . 2 6 . 1 GLN CG C 36.4 . 1 7 . 1 GLN HG2 H 2.05 . 2 8 . 1 GLN HG3 H 2.12 . 2 9 . 2 ASN N N 115.9 . 1 10 . 2 ASN H H 8.15 . 1 11 . 2 ASN CA C 52.7 . 1 12 . 2 ASN HA H 4.61 . 1 13 . 2 ASN CB C 40.3 . 1 14 . 2 ASN HB2 H 2.81 . 2 15 . 2 ASN HB3 H 2.54 . 2 16 . 2 ASN ND2 N 113.5 . 1 17 . 2 ASN HD21 H 6.12 . 2 18 . 2 ASN HD22 H 7.22 . 2 19 . 3 SER N N 119.7 . 1 20 . 3 SER H H 8.88 . 1 21 . 3 SER CA C 57.5 . 1 22 . 3 SER HA H 4.77 . 1 23 . 3 SER CB C 62.9 . 1 24 . 3 SER HB2 H 3.88 . 2 25 . 3 SER HB3 H 4.02 . 2 26 . 4 PRO CD C 49.9 . 1 27 . 4 PRO CA C 66.1 . 1 28 . 4 PRO HA H 2.95 . 1 29 . 4 PRO CB C 30.9 . 1 30 . 4 PRO HB2 H 1.04 . 1 31 . 4 PRO HB3 H -0.15 . 1 32 . 4 PRO CG C 27.6 . 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 112.5 . 1 38 . 5 GLN H H 7.95 . 1 39 . 5 GLN CA C 58.7 . 1 40 . 5 GLN HA H 3.81 . 1 41 . 5 GLN CB C 27.6 . 1 42 . 5 GLN HB2 H 1.89 . 2 43 . 5 GLN HB3 H 1.94 . 2 44 . 5 GLN CG C 33.8 . 1 45 . 5 GLN HG2 H 2.30 . 2 46 . 5 GLN HG3 H 2.37 . 2 47 . 6 ASP N N 120.2 . 1 48 . 6 ASP H H 7.72 . 1 49 . 6 ASP CA C 57.7 . 1 50 . 6 ASP HA H 4.30 . 1 51 . 6 ASP CB C 41.2 . 1 52 . 6 ASP HB2 H 2.57 . 1 53 . 6 ASP HB3 H 2.04 . 1 54 . 7 TYR N N 114.0 . 1 55 . 7 TYR H H 7.12 . 1 56 . 7 TYR CA C 61.9 . 1 57 . 7 TYR HA H 4.07 . 1 58 . 7 TYR CB C 40.2 . 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 133.4 . 3 66 . 7 TYR CE1 C 117.8 . 3 67 . 8 LEU N N 121.1 . 1 68 . 8 LEU H H 8.79 . 1 69 . 8 LEU CA C 58.0 . 1 70 . 8 LEU HA H 3.89 . 1 71 . 8 LEU CB C 42.8 . 1 72 . 8 LEU HB2 H 1.81 . 1 73 . 8 LEU HB3 H 1.52 . 1 74 . 8 LEU CG C 26.7 . 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 24.1 . 1 79 . 8 LEU CD2 C 25.6 . 1 80 . 9 ALA N N 121.0 . 1 81 . 9 ALA H H 8.35 . 1 82 . 9 ALA CA C 56.0 . 1 83 . 9 ALA HA H 4.11 . 1 84 . 9 ALA HB H 1.52 . 1 85 . 9 ALA CB C 18.3 . 1 86 . 10 VAL N N 112.8 . 1 87 . 10 VAL H H 7.07 . 1 88 . 10 VAL CA C 65.5 . 1 89 . 10 VAL HA H 3.88 . 1 90 . 10 VAL CB C 32.0 . 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 21.9 . 1 95 . 10 VAL CG2 C 22.3 . 1 96 . 11 HIS N N 115.9 . 1 97 . 11 HIS H H 7.40 . 1 98 . 11 HIS CA C 62.0 . 1 99 . 11 HIS HA H 3.88 . 1 100 . 11 HIS CB C 29.1 . 1 101 . 11 HIS HB2 H 3.22 . 1 102 . 11 HIS HB3 H 3.22 . 1 103 . 11 HIS ND1 N 106.6 . 1 104 . 11 HIS HD1 H 11.85 . 1 105 . 11 HIS CE1 C 138.2 . 1 106 . 11 HIS HD2 H 7.41 . 1 107 . 11 HIS HE1 H 8.05 . 1 108 . 12 ASN N N 117.8 . 1 109 . 12 ASN H H 9.32 . 1 110 . 12 ASN CA C 55.5 . 1 111 . 12 ASN HA H 4.69 . 1 112 . 12 ASN CB C 36.4 . 1 113 . 12 ASN HB2 H 3.04 . 1 114 . 12 ASN HB3 H 2.85 . 1 115 . 12 ASN ND2 N 107.8 . 1 116 . 12 ASN HD21 H 7.89 . 1 117 . 12 ASN HD22 H 6.56 . 1 118 . 13 ASP N N 123.9 . 1 119 . 13 ASP H H 8.46 . 1 120 . 13 ASP CA C 57.4 . 1 121 . 13 ASP HA H 4.54 . 1 122 . 13 ASP CB C 41.0 . 1 123 . 13 ASP HB2 H 2.82 . 2 124 . 13 ASP HB3 H 2.68 . 2 125 . 14 ALA N N 121.5 . 1 126 . 14 ALA H H 7.29 . 1 127 . 14 ALA CA C 55.2 . 1 128 . 14 ALA HA H 4.12 . 1 129 . 14 ALA HB H 1.52 . 1 130 . 14 ALA CB C 18.4 . 1 131 . 15 ARG N N 118.3 . 1 132 . 15 ARG H H 8.30 . 1 133 . 15 ARG CA C 59.7 . 1 134 . 15 ARG HA H 3.59 . 1 135 . 15 ARG CB C 31.6 . 1 136 . 15 ARG HB2 H 1.60 . 1 137 . 15 ARG HB3 H 2.08 . 1 138 . 15 ARG CG C 32.5 . 1 139 . 15 ARG HG2 H 1.35 . 1 140 . 15 ARG HG3 H 1.97 . 1 141 . 15 ARG CD C 43.9 . 1 142 . 15 ARG HD2 H 3.09 . 2 143 . 15 ARG HD3 H 4.03 . 2 144 . 15 ARG NE N 113.0 . 1 145 . 15 ARG HE H 8.14 . 1 146 . 16 ALA N N 122.5 . 1 147 . 16 ALA H H 8.33 . 1 148 . 16 ALA CA C 55.3 . 1 149 . 16 ALA HA H 4.08 . 1 150 . 16 ALA HB H 1.57 . 1 151 . 16 ALA CB C 17.7 . 1 152 . 17 GLN N N 115.3 . 1 153 . 17 GLN H H 7.46 . 1 154 . 17 GLN CA C 58.4 . 1 155 . 17 GLN HA H 4.06 . 1 156 . 17 GLN CB C 28.6 . 1 157 . 17 GLN HB2 H 2.17 . 2 158 . 17 GLN HB3 H 2.24 . 2 159 . 17 GLN CG C 34.1 . 1 160 . 17 GLN HG2 H 2.52 . 2 161 . 17 GLN HG3 H 2.61 . 2 162 . 17 GLN NE2 N 112.4 . 1 163 . 17 GLN HE21 H 6.73 . 2 164 . 17 GLN HE22 H 7.41 . 2 165 . 18 VAL N N 107.8 . 1 166 . 18 VAL H H 7.14 . 1 167 . 18 VAL CA C 59.8 . 1 168 . 18 VAL HA H 4.36 . 1 169 . 18 VAL CB C 30.5 . 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 18.3 . 1 174 . 18 VAL CG2 C 21.9 . 1 175 . 19 GLY N N 107.8 . 1 176 . 19 GLY H H 7.48 . 1 177 . 19 GLY CA C 46.5 . 1 178 . 19 GLY HA2 H 3.73 . 1 179 . 19 GLY HA3 H 3.89 . 1 180 . 20 VAL N N 121.9 . 1 181 . 20 VAL H H 8.04 . 1 182 . 20 VAL CA C 61.6 . 1 183 . 20 VAL HA H 3.99 . 1 184 . 20 VAL CB C 32.8 . 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 22.7 . 1 189 . 20 VAL CG2 C 23.0 . 1 190 . 21 GLY N N 114.0 . 1 191 . 21 GLY H H 8.53 . 1 192 . 21 GLY CA C 44.8 . 1 193 . 21 GLY HA2 H 3.89 . 2 194 . 21 GLY HA3 H 4.08 . 2 195 . 22 PRO CD C 49.8 . 1 196 . 22 PRO CA C 63.3 . 1 197 . 22 PRO HA H 4.42 . 1 198 . 22 PRO CB C 33.4 . 1 199 . 22 PRO HB2 H 2.02 . 2 200 . 22 PRO HB3 H 2.16 . 2 201 . 22 PRO CG C 27.0 . 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 118.8 . 1 207 . 23 MET H H 9.40 . 1 208 . 23 MET CA C 55.3 . 1 209 . 23 MET HA H 4.72 . 1 210 . 23 MET CB C 36.2 . 1 211 . 23 MET HB2 H 1.65 . 1 212 . 23 MET HB3 H 1.86 . 1 213 . 23 MET CG C 32.8 . 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 18.9 . 1 218 . 24 SER N N 114.0 . 1 219 . 24 SER H H 8.45 . 1 220 . 24 SER CA C 57.1 . 1 221 . 24 SER HA H 4.84 . 1 222 . 24 SER CB C 65.8 . 1 223 . 24 SER HB2 H 3.92 . 1 224 . 24 SER HB3 H 3.85 . 1 225 . 25 TRP N N 123.5 . 1 226 . 25 TRP H H 9.09 . 1 227 . 25 TRP CA C 56.4 . 1 228 . 25 TRP HA H 5.20 . 1 229 . 25 TRP CB C 30.6 . 1 230 . 25 TRP HB2 H 3.15 . 1 231 . 25 TRP HB3 H 3.15 . 1 232 . 25 TRP CD1 C 128.5 . 1 233 . 25 TRP CE3 C 121.0 . 1 234 . 25 TRP NE1 N 130.6 . 1 235 . 25 TRP HD1 H 7.20 . 1 236 . 25 TRP HE3 H 6.66 . 1 237 . 25 TRP CZ3 C 121.7 . 1 238 . 25 TRP CZ2 C 115.6 . 1 239 . 25 TRP HE1 H 10.75 . 1 240 . 25 TRP HZ3 H 7.27 . 1 241 . 25 TRP CH2 C 123.2 . 1 242 . 25 TRP HZ2 H 7.66 . 1 243 . 25 TRP HH2 H 6.67 . 1 244 . 26 ASP N N 128.7 . 1 245 . 26 ASP H H 8.11 . 1 246 . 26 ASP CA C 52.5 . 1 247 . 26 ASP HA H 4.87 . 1 248 . 26 ASP CB C 44.8 . 1 249 . 26 ASP HB2 H 2.12 . 1 250 . 26 ASP HB3 H 2.35 . 1 251 . 27 ALA N N 128.1 . 1 252 . 27 ALA H H 9.01 . 1 253 . 27 ALA CA C 54.9 . 1 254 . 27 ALA HA H 4.05 . 1 255 . 27 ALA HB H 1.57 . 1 256 . 27 ALA CB C 18.6 . 1 257 . 28 ASN N N 118.3 . 1 258 . 28 ASN H H 8.43 . 1 259 . 28 ASN CA C 56.2 . 1 260 . 28 ASN HA H 4.51 . 1 261 . 28 ASN CB C 37.7 . 1 262 . 28 ASN HB2 H 2.97 . 1 263 . 28 ASN HB3 H 2.71 . 1 264 . 29 LEU N N 122.8 . 1 265 . 29 LEU H H 8.09 . 1 266 . 29 LEU CA C 57.1 . 1 267 . 29 LEU HA H 3.78 . 1 268 . 29 LEU CB C 42.2 . 1 269 . 29 LEU HB2 H 1.38 . 1 270 . 29 LEU HB3 H 1.03 . 1 271 . 29 LEU CG C 26.1 . 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 23.4 . 1 276 . 29 LEU CD2 C 25.6 . 1 277 . 30 ALA N N 120.2 . 1 278 . 30 ALA H H 7.99 . 1 279 . 30 ALA CA C 54.5 . 1 280 . 30 ALA HA H 3.43 . 1 281 . 30 ALA HB H 1.39 . 1 282 . 30 ALA CB C 18.7 . 1 283 . 31 SER N N 113.7 . 1 284 . 31 SER H H 7.95 . 1 285 . 31 SER CA C 61.3 . 1 286 . 31 SER HA H 4.25 . 1 287 . 31 SER CB C 62.4 . 1 288 . 31 SER HB2 H 3.99 . 1 289 . 31 SER HB3 H 4.02 . 1 290 . 32 ARG N N 122.3 . 1 291 . 32 ARG H H 7.50 . 1 292 . 32 ARG CA C 59.6 . 1 293 . 32 ARG HA H 4.03 . 1 294 . 32 ARG CB C 30.0 . 1 295 . 32 ARG HB2 H 1.80 . 1 296 . 32 ARG HB3 H 1.87 . 1 297 . 32 ARG CG C 27.0 . 1 298 . 32 ARG HG2 H 1.53 . 2 299 . 32 ARG HG3 H 1.68 . 2 300 . 32 ARG CD C 44.1 . 1 301 . 32 ARG HD2 H 2.98 . 2 302 . 32 ARG HD3 H 3.08 . 2 303 . 33 ALA N N 124.3 . 1 304 . 33 ALA H H 8.17 . 1 305 . 33 ALA CA C 55.1 . 1 306 . 33 ALA HA H 4.15 . 1 307 . 33 ALA HB H 1.31 . 1 308 . 33 ALA CB C 18.4 . 1 309 . 34 GLN N N 117.6 . 1 310 . 34 GLN H H 8.85 . 1 311 . 34 GLN CA C 58.4 . 1 312 . 34 GLN HA H 3.73 . 1 313 . 34 GLN CB C 28.6 . 1 314 . 34 GLN HB2 H 2.48 . 1 315 . 34 GLN HB3 H 2.22 . 1 316 . 34 GLN CG C 33.8 . 1 317 . 34 GLN HG2 H 2.26 . 2 318 . 34 GLN HG3 H 2.59 . 2 319 . 34 GLN NE2 N 116.4 . 1 320 . 34 GLN HE21 H 7.52 . 2 321 . 34 GLN HE22 H 7.35 . 2 322 . 35 ASN N N 117.6 . 1 323 . 35 ASN H H 8.44 . 1 324 . 35 ASN CA C 56.1 . 1 325 . 35 ASN HA H 4.50 . 1 326 . 35 ASN CB C 38.0 . 1 327 . 35 ASN HB2 H 2.98 . 1 328 . 35 ASN HB3 H 2.86 . 1 329 . 35 ASN ND2 N 112.5 . 1 330 . 35 ASN HD21 H 7.60 . 2 331 . 35 ASN HD22 H 6.93 . 2 332 . 36 TYR N N 122.5 . 1 333 . 36 TYR H H 8.46 . 1 334 . 36 TYR CA C 61.9 . 1 335 . 36 TYR HA H 4.31 . 1 336 . 36 TYR CB C 38.0 . 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 133.3 . 3 344 . 36 TYR CE1 C 117.9 . 3 345 . 37 ALA N N 122.9 . 1 346 . 37 ALA H H 8.85 . 1 347 . 37 ALA CA C 55.5 . 1 348 . 37 ALA HA H 3.68 . 1 349 . 37 ALA HB H 1.51 . 1 350 . 37 ALA CB C 16.7 . 1 351 . 38 ASN N N 114.5 . 1 352 . 38 ASN H H 8.52 . 1 353 . 38 ASN CA C 55.5 . 1 354 . 38 ASN HA H 4.10 . 1 355 . 38 ASN CB C 37.3 . 1 356 . 38 ASN HB2 H 3.05 . 1 357 . 38 ASN HB3 H 2.81 . 1 358 . 38 ASN ND2 N 109.7 . 1 359 . 38 ASN HD21 H 7.76 . 1 360 . 38 ASN HD22 H 7.15 . 1 361 . 39 SER N N 117.3 . 1 362 . 39 SER H H 7.85 . 1 363 . 39 SER CA C 60.6 . 1 364 . 39 SER HA H 4.25 . 1 365 . 39 SER CB C 62.6 . 1 366 . 39 SER HB2 H 3.93 . 2 367 . 39 SER HB3 H 3.97 . 2 368 . 40 ARG N N 121.9 . 1 369 . 40 ARG H H 7.13 . 1 370 . 40 ARG CA C 55.8 . 1 371 . 40 ARG HA H 4.08 . 1 372 . 40 ARG CB C 31.5 . 1 373 . 40 ARG HB2 H 0.72 . 2 374 . 40 ARG HB3 H 0.91 . 2 375 . 40 ARG CG C 25.0 . 1 376 . 40 ARG HG2 H 0.46 . 2 377 . 40 ARG HG3 H 0.58 . 2 378 . 40 ARG CD C 44.5 . 1 379 . 40 ARG HD2 H 3.17 . 2 380 . 40 ARG HD3 H 3.59 . 2 381 . 40 ARG NE N 114.2 . 1 382 . 40 ARG HE H 8.37 . 1 383 . 41 ALA N N 121.1 . 1 384 . 41 ALA H H 7.08 . 1 385 . 41 ALA CA C 54.8 . 1 386 . 41 ALA HA H 4.04 . 1 387 . 41 ALA HB H 1.38 . 1 388 . 41 ALA CB C 18.6 . 1 389 . 42 GLY N N 104.8 . 1 390 . 42 GLY H H 8.07 . 1 391 . 42 GLY CA C 46.4 . 1 392 . 42 GLY HA2 H 3.73 . 2 393 . 42 GLY HA3 H 3.84 . 2 394 . 43 ASP N N 115.4 . 1 395 . 43 ASP H H 7.49 . 1 396 . 43 ASP CA C 53.2 . 1 397 . 43 ASP HA H 4.63 . 1 398 . 43 ASP CB C 42.5 . 1 399 . 43 ASP HB2 H 2.46 . 2 400 . 43 ASP HB3 H 2.70 . 2 401 . 44 CYS N N 126.8 . 1 402 . 44 CYS H H 9.39 . 1 403 . 44 CYS CA C 58.8 . 1 404 . 44 CYS HA H 4.03 . 1 405 . 44 CYS CB C 40.3 . 1 406 . 44 CYS HB2 H 3.46 . 1 407 . 44 CYS HB3 H 2.91 . 1 408 . 45 ASN N N 117.1 . 1 409 . 45 ASN H H 8.83 . 1 410 . 45 ASN CA C 52.5 . 1 411 . 45 ASN HA H 4.73 . 1 412 . 45 ASN CB C 39.0 . 1 413 . 45 ASN HB2 H 2.55 . 1 414 . 45 ASN HB3 H 2.55 . 1 415 . 46 LEU N N 124.5 . 1 416 . 46 LEU H H 8.67 . 1 417 . 46 LEU CA C 54.1 . 1 418 . 46 LEU HA H 4.38 . 1 419 . 46 LEU CB C 39.6 . 1 420 . 46 LEU HB2 H 1.45 . 2 421 . 46 LEU HB3 H 1.80 . 2 422 . 46 LEU CG C 26.7 . 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 23.7 . 1 427 . 46 LEU CD2 C 26.0 . 1 428 . 47 ILE N N 124.5 . 1 429 . 47 ILE H H 7.66 . 1 430 . 47 ILE CA C 59.3 . 1 431 . 47 ILE HA H 4.26 . 1 432 . 47 ILE CB C 40.3 . 1 433 . 47 ILE HB H 1.55 . 1 434 . 47 ILE HG2 H 0.85 . 1 435 . 47 ILE CG2 C 16.8 . 1 436 . 47 ILE CG1 C 27.0 . 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 12.8 . 1 441 . 48 HIS N N 127.2 . 1 442 . 48 HIS H H 8.79 . 1 443 . 48 HIS CA C 57.1 . 1 444 . 48 HIS HA H 4.82 . 1 445 . 48 HIS CB C 30.2 . 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 58.8 . 1 450 . 49 SER HA H 4.24 . 1 451 . 49 SER CB C 63.5 . 1 452 . 49 SER HB2 H 2.72 . 2 453 . 49 SER HB3 H 3.45 . 2 454 . 50 GLY N N 109.5 . 1 455 . 50 GLY H H 7.29 . 1 456 . 50 GLY CA C 44.5 . 1 457 . 50 GLY HA2 H 3.80 . 2 458 . 50 GLY HA3 H 3.95 . 2 459 . 51 ALA N N 121.1 . 1 460 . 51 ALA H H 8.06 . 1 461 . 51 ALA CA C 51.7 . 1 462 . 51 ALA HA H 4.11 . 1 463 . 51 ALA HB H 1.14 . 1 464 . 51 ALA CB C 19.5 . 1 465 . 52 GLY N N 107.6 . 1 466 . 52 GLY H H 8.54 . 1 467 . 52 GLY CA C 46.7 . 1 468 . 52 GLY HA2 H 3.72 . 2 469 . 52 GLY HA3 H 3.81 . 2 470 . 53 GLU N N 120.2 . 1 471 . 53 GLU H H 7.67 . 1 472 . 53 GLU CA C 54.8 . 1 473 . 53 GLU HA H 5.52 . 1 474 . 53 GLU CB C 35.4 . 1 475 . 53 GLU HB2 H 1.61 . 2 476 . 53 GLU HB3 H 1.90 . 2 477 . 53 GLU CG C 37.3 . 1 478 . 53 GLU HG2 H 1.82 . 2 479 . 53 GLU HG3 H 2.10 . 2 480 . 54 ASN N N 124.5 . 1 481 . 54 ASN H H 8.97 . 1 482 . 54 ASN CA C 50.9 . 1 483 . 54 ASN HA H 4.97 . 1 484 . 54 ASN CB C 38.3 . 1 485 . 54 ASN HB2 H 0.10 . 2 486 . 54 ASN HB3 H 1.47 . 2 487 . 54 ASN ND2 N 104.0 . 1 488 . 54 ASN HD21 H 5.82 . 2 489 . 54 ASN HD22 H 6.50 . 2 490 . 55 LEU N N 117.5 . 1 491 . 55 LEU H H 7.63 . 1 492 . 55 LEU CA C 52.5 . 1 493 . 55 LEU HA H 5.76 . 1 494 . 55 LEU CB C 46.7 . 1 495 . 55 LEU HB2 H 1.60 . 1 496 . 55 LEU HB3 H 1.60 . 1 497 . 55 LEU CG C 27.3 . 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 23.5 . 1 502 . 55 LEU CD2 C 25.8 . 1 503 . 56 ALA N N 123.9 . 1 504 . 56 ALA H H 9.31 . 1 505 . 56 ALA CA C 51.9 . 1 506 . 56 ALA HA H 4.64 . 1 507 . 56 ALA HB H 1.60 . 1 508 . 56 ALA CB C 24.2 . 1 509 . 57 LYS N N 114.3 . 1 510 . 57 LYS H H 8.39 . 1 511 . 57 LYS CA C 54.6 . 1 512 . 57 LYS HA H 5.93 . 1 513 . 57 LYS CB C 37.0 . 1 514 . 57 LYS HB2 H 2.14 . 1 515 . 57 LYS HB3 H 1.90 . 1 516 . 57 LYS CG C 23.6 . 1 517 . 57 LYS HG2 H 1.42 . 2 518 . 57 LYS HG3 H 1.48 . 2 519 . 57 LYS CD C 30.8 . 1 520 . 57 LYS HD2 H 1.66 . 2 521 . 57 LYS HD3 H 1.99 . 2 522 . 57 LYS CE C 42.3 . 1 523 . 57 LYS HE2 H 2.86 . 2 524 . 57 LYS HE3 H 2.89 . 2 525 . 58 GLY N N 107.3 . 1 526 . 58 GLY H H 8.20 . 1 527 . 58 GLY CA C 44.5 . 1 528 . 58 GLY HA2 H 2.19 . 2 529 . 58 GLY HA3 H 3.27 . 2 530 . 59 GLY N N 105.9 . 1 531 . 59 GLY H H 7.07 . 1 532 . 59 GLY CA C 41.9 . 1 533 . 59 GLY HA2 H 2.71 . 2 534 . 59 GLY HA3 H 3.65 . 2 535 . 60 GLY N N 105.4 . 1 536 . 60 GLY H H 8.07 . 1 537 . 60 GLY CA C 46.1 . 1 538 . 60 GLY HA2 H 3.73 . 2 539 . 60 GLY HA3 H 3.81 . 2 540 . 61 ASP N N 124.7 . 1 541 . 61 ASP H H 8.56 . 1 542 . 61 ASP CA C 52.9 . 1 543 . 61 ASP HA H 4.71 . 1 544 . 61 ASP CB C 39.6 . 1 545 . 61 ASP HB2 H 2.43 . 2 546 . 61 ASP HB3 H 2.62 . 2 547 . 62 PHE N N 122.1 . 1 548 . 62 PHE H H 7.03 . 1 549 . 62 PHE CA C 58.4 . 1 550 . 62 PHE HA H 4.31 . 1 551 . 62 PHE CB C 39.0 . 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 132.3 . 3 559 . 62 PHE CE1 C 130.4 . 3 560 . 62 PHE CZ C 128.2 . 1 561 . 62 PHE HZ H 6.76 . 1 562 . 63 THR N N 118.7 . 1 563 . 63 THR H H 6.81 . 1 564 . 63 THR CA C 59.7 . 1 565 . 63 THR HA H 3.90 . 1 566 . 63 THR CB C 71.6 . 1 567 . 63 THR HB H 4.15 . 1 568 . 63 THR HG2 H 0.93 . 1 569 . 63 THR CG2 C 21.6 . 1 570 . 64 GLY N N 105.9 . 1 571 . 64 GLY H H 8.63 . 1 572 . 64 GLY CA C 48.7 . 1 573 . 64 GLY HA2 H 2.90 . 2 574 . 64 GLY HA3 H 3.34 . 2 575 . 65 ARG N N 116.9 . 1 576 . 65 ARG H H 7.38 . 1 577 . 65 ARG CA C 59.8 . 1 578 . 65 ARG HA H 3.36 . 1 579 . 65 ARG CB C 30.7 . 1 580 . 65 ARG HB2 H 1.46 . 1 581 . 65 ARG HB3 H 1.40 . 1 582 . 65 ARG CG C 28.0 . 1 583 . 65 ARG HG2 H 1.18 . 2 584 . 65 ARG HG3 H 1.39 . 2 585 . 65 ARG CD C 42.8 . 1 586 . 65 ARG HD2 H 2.95 . 1 587 . 65 ARG HD3 H 2.95 . 1 588 . 65 ARG NE N 111.8 . 1 589 . 65 ARG HE H 7.28 . 1 590 . 66 ALA N N 120.6 . 1 591 . 66 ALA H H 7.23 . 1 592 . 66 ALA CA C 54.2 . 1 593 . 66 ALA HA H 3.72 . 1 594 . 66 ALA HB H 0.96 . 1 595 . 66 ALA CB C 17.9 . 1 596 . 67 ALA N N 121.1 . 1 597 . 67 ALA H H 7.34 . 1 598 . 67 ALA CA C 54.5 . 1 599 . 67 ALA HA H 3.24 . 1 600 . 67 ALA HB H 0.79 . 1 601 . 67 ALA CB C 18.2 . 1 602 . 68 VAL N N 113.1 . 1 603 . 68 VAL H H 7.18 . 1 604 . 68 VAL CA C 64.3 . 1 605 . 68 VAL HA H 3.15 . 1 606 . 68 VAL CB C 31.0 . 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 21.9 . 1 611 . 68 VAL CG2 C 22.3 . 1 612 . 69 GLN N N 117.7 . 1 613 . 69 GLN H H 8.20 . 1 614 . 69 GLN CA C 59.1 . 1 615 . 69 GLN HA H 3.75 . 1 616 . 69 GLN CB C 27.8 . 1 617 . 69 GLN HB2 H 2.06 . 1 618 . 69 GLN HB3 H 1.86 . 1 619 . 69 GLN CG C 34.4 . 1 620 . 69 GLN HG2 H 2.25 . 2 621 . 69 GLN HG3 H 2.43 . 2 622 . 69 GLN NE2 N 110.0 . 1 623 . 69 GLN HE21 H 6.61 . 2 624 . 69 GLN HE22 H 7.17 . 2 625 . 70 LEU N N 122.1 . 1 626 . 70 LEU H H 7.60 . 1 627 . 70 LEU CA C 58.1 . 1 628 . 70 LEU HA H 4.12 . 1 629 . 70 LEU CB C 41.3 . 1 630 . 70 LEU HB2 H 1.60 . 1 631 . 70 LEU HB3 H 1.89 . 1 632 . 70 LEU CG C 26.7 . 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 23.9 . 2 637 . 70 LEU CD2 C 25.5 . 2 638 . 71 TRP N N 123.0 . 1 639 . 71 TRP H H 7.36 . 1 640 . 71 TRP CA C 59.1 . 1 641 . 71 TRP HA H 4.62 . 1 642 . 71 TRP CB C 28.6 . 1 643 . 71 TRP HB2 H 3.58 . 1 644 . 71 TRP HB3 H 2.73 . 1 645 . 71 TRP CD1 C 125.6 . 1 646 . 71 TRP CE3 C 120.6 . 1 647 . 71 TRP NE1 N 126.3 . 1 648 . 71 TRP HD1 H 6.82 . 1 649 . 71 TRP HE3 H 7.28 . 1 650 . 71 TRP CZ3 C 122.7 . 1 651 . 71 TRP CZ2 C 114.1 . 1 652 . 71 TRP HE1 H 9.07 . 1 653 . 71 TRP HZ3 H 7.36 . 1 654 . 71 TRP CH2 C 124.7 . 1 655 . 71 TRP HZ2 H 6.80 . 1 656 . 71 TRP HH2 H 6.96 . 1 657 . 72 VAL N N 116.8 . 1 658 . 72 VAL H H 8.76 . 1 659 . 72 VAL CA C 66.3 . 1 660 . 72 VAL HA H 4.00 . 1 661 . 72 VAL CB C 31.6 . 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 22.1 . 1 666 . 72 VAL CG2 C 24.5 . 1 667 . 73 SER N N 117.6 . 1 668 . 73 SER H H 8.30 . 1 669 . 73 SER CA C 61.0 . 1 670 . 73 SER HA H 4.34 . 1 671 . 73 SER CB C 62.6 . 1 672 . 73 SER HB2 H 4.14 . 1 673 . 73 SER HB3 H 4.14 . 1 674 . 74 GLU N N 119.2 . 1 675 . 74 GLU H H 7.44 . 1 676 . 74 GLU CA C 56.5 . 1 677 . 74 GLU HA H 4.41 . 1 678 . 74 GLU CB C 30.5 . 1 679 . 74 GLU HB2 H 2.52 . 1 680 . 74 GLU HB3 H 2.63 . 1 681 . 74 GLU CG C 35.7 . 1 682 . 74 GLU HG2 H 2.75 . 1 683 . 74 GLU HG3 H 2.75 . 1 684 . 75 ARG N N 119.7 . 1 685 . 75 ARG H H 7.68 . 1 686 . 75 ARG CA C 61.6 . 1 687 . 75 ARG HA H 2.93 . 1 688 . 75 ARG CB C 28.3 . 1 689 . 75 ARG HB2 H 1.31 . 1 690 . 75 ARG HB3 H 1.72 . 1 691 . 75 ARG CG C 26.7 . 1 692 . 75 ARG HG2 H 1.32 . 1 693 . 75 ARG HG3 H 1.32 . 1 694 . 75 ARG CD C 43.9 . 1 695 . 75 ARG HD2 H 3.08 . 2 696 . 75 ARG HD3 H 3.16 . 2 697 . 76 PRO CD C 49.7 . 1 698 . 76 PRO CA C 65.2 . 1 699 . 76 PRO HA H 4.54 . 1 700 . 76 PRO CB C 30.9 . 1 701 . 76 PRO HB2 H 1.89 . 2 702 . 76 PRO HB3 H 2.33 . 2 703 . 76 PRO CG C 28.0 . 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 112.8 . 1 709 . 77 SER H H 8.29 . 1 710 . 77 SER CA C 58.0 . 1 711 . 77 SER HA H 4.51 . 1 712 . 77 SER CB C 63.2 . 1 713 . 77 SER HB2 H 4.06 . 1 714 . 77 SER HB3 H 4.23 . 1 715 . 78 TYR N N 121.6 . 1 716 . 78 TYR H H 8.05 . 1 717 . 78 TYR CA C 56.8 . 1 718 . 78 TYR HA H 5.10 . 1 719 . 78 TYR CB C 39.4 . 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 133.4 . 3 727 . 78 TYR CE1 C 118.9 . 3 728 . 79 ASN N N 128.0 . 1 729 . 79 ASN H H 8.23 . 1 730 . 79 ASN CA C 51.3 . 1 731 . 79 ASN HA H 4.67 . 1 732 . 79 ASN CB C 39.4 . 1 733 . 79 ASN HB2 H 2.26 . 2 734 . 79 ASN HB3 H 3.00 . 2 735 . 80 TYR N N 126.6 . 1 736 . 80 TYR H H 8.53 . 1 737 . 80 TYR CA C 61.0 . 1 738 . 80 TYR HA H 3.79 . 1 739 . 80 TYR CB C 39.3 . 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 134.5 . 3 747 . 80 TYR CE1 C 117.8 . 3 748 . 81 ALA N N 119.7 . 1 749 . 81 ALA H H 8.20 . 1 750 . 81 ALA CA C 55.4 . 1 751 . 81 ALA HA H 3.98 . 1 752 . 81 ALA HB H 1.51 . 1 753 . 81 ALA CB C 18.1 . 1 754 . 82 THR N N 104.4 . 1 755 . 82 THR H H 7.27 . 1 756 . 82 THR CA C 60.8 . 1 757 . 82 THR HA H 4.26 . 1 758 . 82 THR CB C 69.4 . 1 759 . 82 THR HB H 4.27 . 1 760 . 82 THR HG2 H 1.05 . 1 761 . 82 THR CG2 C 21.7 . 1 762 . 83 ASN N N 121.6 . 1 763 . 83 ASN H H 8.14 . 1 764 . 83 ASN CA C 53.2 . 1 765 . 83 ASN HA H 4.27 . 1 766 . 83 ASN CB C 37.6 . 1 767 . 83 ASN HB2 H 1.96 . 1 768 . 83 ASN HB3 H 3.42 . 1 769 . 83 ASN ND2 N 112.1 . 1 770 . 83 ASN HD21 H 6.68 . 2 771 . 83 ASN HD22 H 7.97 . 2 772 . 84 GLN N N 114.9 . 1 773 . 84 GLN H H 7.54 . 1 774 . 84 GLN CA C 54.0 . 1 775 . 84 GLN HA H 4.78 . 1 776 . 84 GLN CB C 33.2 . 1 777 . 84 GLN HB2 H 2.17 . 2 778 . 84 GLN HB3 H 1.74 . 2 779 . 84 GLN CG C 33.2 . 1 780 . 84 GLN HG2 H 2.35 . 1 781 . 84 GLN HG3 H 2.35 . 1 782 . 85 CYS N N 117.8 . 1 783 . 85 CYS H H 8.66 . 1 784 . 85 CYS CA C 51.9 . 1 785 . 85 CYS HA H 5.79 . 1 786 . 85 CYS CB C 35.7 . 1 787 . 85 CYS HB2 H 2.75 . 1 788 . 85 CYS HB3 H 3.65 . 1 789 . 86 VAL N N 123.8 . 1 790 . 86 VAL H H 9.03 . 1 791 . 86 VAL CA C 62.3 . 1 792 . 86 VAL HA H 4.17 . 1 793 . 86 VAL CB C 33.7 . 1 794 . 86 VAL HB H 2.01 . 1 795 . 86 VAL CG1 C 20.7 . 1 796 . 86 VAL CG2 C 21.4 . 1 797 . 86 VAL HG1 H 1.00 . 1 798 . 86 VAL HG2 H 1.00 . 1 799 . 87 GLY N N 111.5 . 1 800 . 87 GLY H H 8.70 . 1 801 . 87 GLY CA C 46.8 . 1 802 . 87 GLY HA2 H 3.87 . 1 803 . 87 GLY HA3 H 3.87 . 1 804 . 88 GLY N N 109.0 . 1 805 . 88 GLY H H 8.66 . 1 806 . 88 GLY CA C 45.3 . 1 807 . 88 GLY HA2 H 3.75 . 2 808 . 88 GLY HA3 H 4.09 . 2 809 . 89 LYS N N 119.6 . 1 810 . 89 LYS H H 7.66 . 1 811 . 89 LYS CA C 54.9 . 1 812 . 89 LYS HA H 4.53 . 1 813 . 89 LYS CB C 33.8 . 1 814 . 89 LYS HB2 H 2.00 . 1 815 . 89 LYS HB3 H 2.07 . 1 816 . 89 LYS CG C 25.4 . 1 817 . 89 LYS HG2 H 1.44 . 2 818 . 89 LYS HG3 H 1.54 . 2 819 . 89 LYS CD C 28.6 . 1 820 . 89 LYS HD2 H 1.70 . 2 821 . 89 LYS HD3 H 1.75 . 2 822 . 89 LYS CE C 42.2 . 1 823 . 89 LYS HE2 H 3.03 . 2 824 . 89 LYS HE3 H 3.07 . 2 825 . 90 LYS N N 119.9 . 1 826 . 90 LYS H H 8.35 . 1 827 . 90 LYS CA C 56.5 . 1 828 . 90 LYS HA H 4.44 . 1 829 . 90 LYS CB C 33.1 . 1 830 . 90 LYS HB2 H 1.97 . 1 831 . 90 LYS HB3 H 1.97 . 1 832 . 90 LYS CG C 25.0 . 1 833 . 90 LYS HG2 H 1.59 . 2 834 . 90 LYS HG3 H 1.70 . 2 835 . 90 LYS CD C 29.2 . 1 836 . 90 LYS HD2 H 1.82 . 1 837 . 90 LYS HD3 H 1.82 . 1 838 . 90 LYS CE C 42.2 . 1 839 . 90 LYS HE2 H 3.13 . 1 840 . 90 LYS HE3 H 3.13 . 1 841 . 91 CYS N N 118.3 . 1 842 . 91 CYS H H 8.46 . 1 843 . 91 CYS CA C 58.7 . 1 844 . 91 CYS HA H 5.68 . 1 845 . 91 CYS CB C 37.0 . 1 846 . 91 CYS HB2 H 2.93 . 2 847 . 91 CYS HB3 H 3.00 . 2 848 . 92 ARG N N 118.5 . 1 849 . 92 ARG H H 8.00 . 1 850 . 92 ARG CA C 55.8 . 1 851 . 92 ARG HA H 4.84 . 1 852 . 92 ARG CB C 28.9 . 1 853 . 92 ARG HB2 H 1.69 . 1 854 . 92 ARG HB3 H 1.69 . 1 855 . 92 ARG CG C 26.5 . 1 856 . 92 ARG HG2 H 1.47 . 2 857 . 92 ARG HG3 H 1.53 . 2 858 . 92 ARG CD C 42.9 . 1 859 . 92 ARG HD2 H 2.92 . 2 860 . 92 ARG HD3 H 3.09 . 2 861 . 93 HIS N N 121.5 . 1 862 . 93 HIS H H 8.88 . 1 863 . 93 HIS CA C 58.8 . 1 864 . 93 HIS HA H 4.82 . 1 865 . 93 HIS CB C 27.3 . 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 121.9 . 1 870 . 94 TYR H H 8.24 . 1 871 . 94 TYR CA C 62.2 . 1 872 . 94 TYR HA H 3.84 . 1 873 . 94 TYR CB C 38.4 . 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 132.6 . 3 881 . 94 TYR CE1 C 118.2 . 3 882 . 95 THR N N 105.9 . 1 883 . 95 THR H H 7.94 . 1 884 . 95 THR CA C 66.1 . 1 885 . 95 THR HA H 3.31 . 1 886 . 95 THR CB C 67.6 . 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 21.4 . 1 891 . 96 GLN N N 116.6 . 1 892 . 96 GLN H H 6.64 . 1 893 . 96 GLN CA C 56.8 . 1 894 . 96 GLN HA H 4.21 . 1 895 . 96 GLN CB C 29.2 . 1 896 . 96 GLN HB2 H 1.63 . 2 897 . 96 GLN HB3 H 1.69 . 2 898 . 96 GLN CG C 33.7 . 1 899 . 96 GLN HG2 H 0.21 . 2 900 . 96 GLN HG3 H 0.91 . 2 901 . 96 GLN NE2 N 115.4 . 1 902 . 96 GLN HE21 H 6.67 . 2 903 . 96 GLN HE22 H 8.00 . 2 904 . 97 VAL N N 122.4 . 1 905 . 97 VAL H H 7.63 . 1 906 . 97 VAL CA C 67.9 . 1 907 . 97 VAL HA H 3.78 . 1 908 . 97 VAL CB C 30.6 . 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 21.6 . 1 913 . 97 VAL CG2 C 23.0 . 1 914 . 98 VAL N N 103.9 . 1 915 . 98 VAL H H 6.92 . 1 916 . 98 VAL CA C 60.0 . 1 917 . 98 VAL HA H 4.31 . 1 918 . 98 VAL CB C 29.9 . 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 17.1 . 1 923 . 98 VAL CG2 C 21.2 . 1 924 . 99 TRP N N 118.8 . 1 925 . 99 TRP H H 6.74 . 1 926 . 99 TRP CA C 59.0 . 1 927 . 99 TRP HA H 4.17 . 1 928 . 99 TRP CB C 28.3 . 1 929 . 99 TRP HB2 H 3.60 . 1 930 . 99 TRP HB3 H 3.28 . 1 931 . 99 TRP CD1 C 128.2 . 1 932 . 99 TRP CE3 C 121.9 . 1 933 . 99 TRP NE1 N 132.1 . 1 934 . 99 TRP HD1 H 7.28 . 1 935 . 99 TRP HE3 H 7.95 . 1 936 . 99 TRP CZ3 C 122.1 . 1 937 . 99 TRP CZ2 C 115.2 . 1 938 . 99 TRP HE1 H 10.96 . 1 939 . 99 TRP HZ3 H 7.16 . 1 940 . 99 TRP CH2 C 126.0 . 1 941 . 99 TRP HZ2 H 7.78 . 1 942 . 99 TRP HH2 H 7.33 . 1 943 . 100 ARG N N 136.8 . 1 944 . 100 ARG H H 9.41 . 1 945 . 100 ARG CA C 60.0 . 1 946 . 100 ARG HA H 3.83 . 1 947 . 100 ARG CB C 29.9 . 1 948 . 100 ARG HB2 H 2.03 . 1 949 . 100 ARG HB3 H 1.77 . 1 950 . 100 ARG CG C 26.8 . 1 951 . 100 ARG HG2 H 1.39 . 2 952 . 100 ARG HG3 H 1.76 . 2 953 . 100 ARG CD C 43.2 . 1 954 . 100 ARG HD2 H 3.17 . 2 955 . 100 ARG HD3 H 3.43 . 2 956 . 100 ARG NE N 114.5 . 1 957 . 100 ARG HE H 7.29 . 1 958 . 101 ASN N N 111.1 . 1 959 . 101 ASN H H 8.04 . 1 960 . 101 ASN CA C 53.6 . 1 961 . 101 ASN HA H 4.63 . 1 962 . 101 ASN CB C 38.3 . 1 963 . 101 ASN HB2 H 2.86 . 2 964 . 101 ASN HB3 H 3.05 . 2 965 . 101 ASN ND2 N 111.1 . 1 966 . 101 ASN HD21 H 6.84 . 2 967 . 101 ASN HD22 H 7.83 . 2 968 . 102 SER N N 118.7 . 1 969 . 102 SER H H 8.20 . 1 970 . 102 SER CA C 59.3 . 1 971 . 102 SER HA H 4.65 . 1 972 . 102 SER CB C 63.2 . 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 113.8 . 1 977 . 103 VAL H H 7.31 . 1 978 . 103 VAL CA C 61.3 . 1 979 . 103 VAL HA H 4.63 . 1 980 . 103 VAL CB C 33.1 . 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 18.2 . 1 985 . 103 VAL CG2 C 21.8 . 1 986 . 104 ARG N N 123.9 . 1 987 . 104 ARG H H 8.64 . 1 988 . 104 ARG CA C 54.8 . 1 989 . 104 ARG HA H 5.27 . 1 990 . 104 ARG CB C 33.8 . 1 991 . 104 ARG HB2 H 1.47 . 2 992 . 104 ARG HB3 H 1.98 . 2 993 . 104 ARG CG C 28.6 . 1 994 . 104 ARG HG2 H 1.57 . 1 995 . 104 ARG HG3 H 1.57 . 1 996 . 104 ARG CD C 42.5 . 1 997 . 104 ARG HD2 H 3.19 . 2 998 . 104 ARG HD3 H 3.36 . 2 999 . 104 ARG NE N 113.0 . 1 1000 . 104 ARG HE H 7.58 . 1 1001 . 105 LEU N N 122.5 . 1 1002 . 105 LEU H H 8.38 . 1 1003 . 105 LEU CA C 51.9 . 1 1004 . 105 LEU HA H 4.71 . 1 1005 . 105 LEU CB C 47.4 . 1 1006 . 105 LEU HB2 H 1.09 . 1 1007 . 105 LEU HB3 H 1.30 . 1 1008 . 105 LEU CG C 26.7 . 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 23.1 . 2 1013 . 105 LEU CD2 C 25.7 . 2 1014 . 106 GLY N N 107.8 . 1 1015 . 106 GLY H H 7.47 . 1 1016 . 106 GLY CA C 45.1 . 1 1017 . 106 GLY HA2 H 1.93 . 2 1018 . 106 GLY HA3 H 2.66 . 2 1019 . 107 CYS N N 121.9 . 1 1020 . 107 CYS H H 6.21 . 1 1021 . 107 CYS CA C 55.1 . 1 1022 . 107 CYS HA H 5.75 . 1 1023 . 107 CYS CB C 50.9 . 1 1024 . 107 CYS HB2 H 1.85 . 1 1025 . 107 CYS HB3 H 2.60 . 1 1026 . 108 GLY N N 107.3 . 1 1027 . 108 GLY H H 9.27 . 1 1028 . 108 GLY CA C 44.5 . 1 1029 . 108 GLY HA2 H 4.51 . 1 1030 . 108 GLY HA3 H 3.25 . 1 1031 . 109 ARG N N 119.1 . 1 1032 . 109 ARG H H 8.13 . 1 1033 . 109 ARG CA C 54.8 . 1 1034 . 109 ARG HA H 5.87 . 1 1035 . 109 ARG CB C 33.8 . 1 1036 . 109 ARG HB2 H 1.82 . 1 1037 . 109 ARG HB3 H 1.82 . 1 1038 . 109 ARG CG C 28.9 . 1 1039 . 109 ARG HG2 H 1.56 . 2 1040 . 109 ARG HG3 H 1.71 . 2 1041 . 109 ARG CD C 43.7 . 1 1042 . 109 ARG HD2 H 2.63 . 2 1043 . 109 ARG HD3 H 2.81 . 2 1044 . 109 ARG NE N 111.3 . 1 1045 . 109 ARG HE H 6.35 . 1 1046 . 110 ALA N N 131.8 . 1 1047 . 110 ALA H H 10.13 . 1 1048 . 110 ALA CA C 50.9 . 1 1049 . 110 ALA HA H 5.17 . 1 1050 . 110 ALA HB H 1.39 . 1 1051 . 110 ALA CB C 23.7 . 1 1052 . 111 ARG N N 123.5 . 1 1053 . 111 ARG H H 8.67 . 1 1054 . 111 ARG CA C 55.1 . 1 1055 . 111 ARG HA H 4.01 . 1 1056 . 111 ARG CB C 30.3 . 1 1057 . 111 ARG HB2 H 1.40 . 1 1058 . 111 ARG HB3 H 0.61 . 1 1059 . 111 ARG CG C 26.3 . 1 1060 . 111 ARG HG2 H 0.35 . 2 1061 . 111 ARG HG3 H 1.28 . 2 1062 . 111 ARG CD C 42.9 . 1 1063 . 111 ARG HD2 H 2.30 . 1 1064 . 111 ARG HD3 H 2.30 . 1 1065 . 112 CYS N N 126.3 . 1 1066 . 112 CYS H H 9.75 . 1 1067 . 112 CYS CA C 55.2 . 1 1068 . 112 CYS HA H 4.71 . 1 1069 . 112 CYS CB C 39.7 . 1 1070 . 112 CYS HB2 H 3.32 . 1 1071 . 112 CYS HB3 H 3.61 . 1 1072 . 113 ASN N N 122.6 . 1 1073 . 113 ASN H H 8.81 . 1 1074 . 113 ASN CA C 55.5 . 1 1075 . 113 ASN HA H 4.30 . 1 1076 . 113 ASN CB C 37.3 . 1 1077 . 113 ASN HB2 H 2.85 . 1 1078 . 113 ASN HB3 H 2.85 . 1 1079 . 113 ASN ND2 N 110.7 . 1 1080 . 113 ASN HD21 H 7.64 . 2 1081 . 113 ASN HD22 H 6.92 . 2 1082 . 114 ASN N N 115.2 . 1 1083 . 114 ASN H H 7.86 . 1 1084 . 114 ASN CA C 52.7 . 1 1085 . 114 ASN HA H 4.45 . 1 1086 . 114 ASN CB C 37.0 . 1 1087 . 114 ASN HB2 H 3.11 . 2 1088 . 114 ASN HB3 H 2.58 . 2 1089 . 115 GLY N N 107.8 . 1 1090 . 115 GLY H H 8.02 . 1 1091 . 115 GLY CA C 44.8 . 1 1092 . 115 GLY HA2 H 3.40 . 2 1093 . 115 GLY HA3 H 4.40 . 2 1094 . 116 TRP N N 122.8 . 1 1095 . 116 TRP H H 8.16 . 1 1096 . 116 TRP CA C 58.1 . 1 1097 . 116 TRP HA H 4.69 . 1 1098 . 116 TRP CB C 29.2 . 1 1099 . 116 TRP HB2 H 3.60 . 1 1100 . 116 TRP HB3 H 3.13 . 1 1101 . 116 TRP CD1 C 125.4 . 1 1102 . 116 TRP CE3 C 118.9 . 1 1103 . 116 TRP NE1 N 129.0 . 1 1104 . 116 TRP HD1 H 7.04 . 1 1105 . 116 TRP HE3 H 7.11 . 1 1106 . 116 TRP CZ3 C 121.4 . 1 1107 . 116 TRP CZ2 C 114.9 . 1 1108 . 116 TRP HE1 H 10.10 . 1 1109 . 116 TRP HZ3 H 6.97 . 1 1110 . 116 TRP CH2 C 124.8 . 1 1111 . 116 TRP HZ2 H 7.51 . 1 1112 . 116 TRP HH2 H 7.22 . 1 1113 . 117 TRP N N 118.5 . 1 1114 . 117 TRP H H 9.11 . 1 1115 . 117 TRP CA C 56.8 . 1 1116 . 117 TRP HA H 5.30 . 1 1117 . 117 TRP CB C 32.8 . 1 1118 . 117 TRP HB2 H 3.42 . 1 1119 . 117 TRP HB3 H 3.24 . 1 1120 . 117 TRP CD1 C 127.6 . 1 1121 . 117 TRP CE3 C 120.0 . 1 1122 . 117 TRP NE1 N 128.1 . 1 1123 . 117 TRP HD1 H 7.43 . 1 1124 . 117 TRP HE3 H 7.34 . 1 1125 . 117 TRP CZ3 C 122.6 . 1 1126 . 117 TRP CZ2 C 114.4 . 1 1127 . 117 TRP HE1 H 9.91 . 1 1128 . 117 TRP HZ3 H 7.02 . 1 1129 . 117 TRP CH2 C 124.4 . 1 1130 . 117 TRP HZ2 H 7.49 . 1 1131 . 117 TRP HH2 H 7.24 . 1 1132 . 118 PHE N N 123.7 . 1 1133 . 118 PHE H H 9.73 . 1 1134 . 118 PHE CA C 57.2 . 1 1135 . 118 PHE HA H 5.08 . 1 1136 . 118 PHE CB C 42.9 . 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 131.3 . 3 1144 . 118 PHE CE1 C 131.3 . 3 1145 . 118 PHE CZ C 129.3 . 1 1146 . 118 PHE HZ H 7.19 . 1 1147 . 119 ILE N N 129.5 . 1 1148 . 119 ILE H H 9.37 . 1 1149 . 119 ILE CA C 60.6 . 1 1150 . 119 ILE HA H 5.39 . 1 1151 . 119 ILE CB C 42.5 . 1 1152 . 119 ILE HB H 1.67 . 1 1153 . 119 ILE HG2 H 1.21 . 1 1154 . 119 ILE CG2 C 19.8 . 1 1155 . 119 ILE CG1 C 30.9 . 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 16.0 . 1 1160 . 120 SER N N 117.8 . 1 1161 . 120 SER H H 8.50 . 1 1162 . 120 SER CA C 54.8 . 1 1163 . 120 SER HA H 5.69 . 1 1164 . 120 SER CB C 65.9 . 1 1165 . 120 SER HB2 H 3.88 . 1 1166 . 120 SER HB3 H 3.88 . 1 1167 . 121 CYS N N 121.3 . 1 1168 . 121 CYS H H 9.28 . 1 1169 . 121 CYS CA C 55.5 . 1 1170 . 121 CYS HA H 5.12 . 1 1171 . 121 CYS CB C 45.8 . 1 1172 . 121 CYS HB2 H 2.50 . 2 1173 . 121 CYS HB3 H 2.94 . 2 1174 . 122 ASN N N 120.0 . 1 1175 . 122 ASN H H 9.12 . 1 1176 . 122 ASN CA C 52.0 . 1 1177 . 122 ASN HA H 5.62 . 1 1178 . 122 ASN CB C 42.6 . 1 1179 . 122 ASN HB2 H 2.11 . 1 1180 . 122 ASN HB3 H 2.65 . 1 1181 . 122 ASN ND2 N 106.1 . 1 1182 . 122 ASN HD21 H 6.61 . 2 1183 . 122 ASN HD22 H 6.92 . 2 1184 . 123 TYR N N 116.9 . 1 1185 . 123 TYR H H 7.78 . 1 1186 . 123 TYR CA C 56.8 . 1 1187 . 123 TYR HA H 4.81 . 1 1188 . 123 TYR CB C 42.5 . 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 133.1 . 3 1196 . 123 TYR CE1 C 117.5 . 3 1197 . 123 TYR HH H 13.03 . 1 1198 . 124 ASP N N 119.7 . 1 1199 . 124 ASP H H 8.62 . 1 1200 . 124 ASP CA C 52.2 . 1 1201 . 124 ASP HA H 4.88 . 1 1202 . 124 ASP CB C 48.3 . 1 1203 . 124 ASP HB2 H 2.40 . 1 1204 . 124 ASP HB3 H 2.40 . 1 1205 . 125 PRO CD C 50.3 . 1 1206 . 125 PRO CA C 63.8 . 1 1207 . 125 PRO HA H 5.01 . 1 1208 . 125 PRO CB C 34.5 . 1 1209 . 125 PRO HB2 H 2.04 . 2 1210 . 125 PRO HB3 H 2.60 . 2 1211 . 125 PRO CG C 26.3 . 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 116.7 . 1 1217 . 126 VAL H H 8.58 . 1 1218 . 126 VAL CA C 62.9 . 1 1219 . 126 VAL HA H 3.61 . 1 1220 . 126 VAL CB C 32.5 . 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 19.1 . 1 1225 . 126 VAL CG2 C 21.4 . 1 1226 . 127 GLY N N 107.8 . 1 1227 . 127 GLY H H 7.29 . 1 1228 . 127 GLY CA C 40.3 . 1 1229 . 127 GLY HA2 H 1.62 . 2 1230 . 127 GLY HA3 H 2.84 . 2 1231 . 128 ASN N N 107.7 . 1 1232 . 128 ASN H H 3.61 . 1 1233 . 128 ASN CA C 53.2 . 1 1234 . 128 ASN HA H 3.49 . 1 1235 . 128 ASN CB C 34.7 . 1 1236 . 128 ASN HB2 H 2.30 . 2 1237 . 128 ASN HB3 H 2.64 . 2 1238 . 128 ASN ND2 N 111.4 . 1 1239 . 128 ASN HD21 H 6.96 . 2 1240 . 128 ASN HD22 H 7.45 . 2 1241 . 129 TRP N N 119.2 . 1 1242 . 129 TRP H H 5.73 . 1 1243 . 129 TRP CA C 56.4 . 1 1244 . 129 TRP HA H 4.17 . 1 1245 . 129 TRP CB C 29.5 . 1 1246 . 129 TRP HB2 H 3.35 . 1 1247 . 129 TRP HB3 H 2.75 . 1 1248 . 129 TRP CD1 C 125.9 . 1 1249 . 129 TRP CE3 C 121.0 . 1 1250 . 129 TRP NE1 N 129.2 . 1 1251 . 129 TRP HD1 H 6.91 . 1 1252 . 129 TRP HE3 H 7.71 . 1 1253 . 129 TRP CZ3 C 122.2 . 1 1254 . 129 TRP CZ2 C 114.8 . 1 1255 . 129 TRP HE1 H 9.58 . 1 1256 . 129 TRP HZ3 H 7.14 . 1 1257 . 129 TRP CH2 C 125.0 . 1 1258 . 129 TRP HZ2 H 7.37 . 1 1259 . 129 TRP HH2 H 7.21 . 1 1260 . 130 ILE N N 126.2 . 1 1261 . 130 ILE H H 8.54 . 1 1262 . 130 ILE CA C 62.6 . 1 1263 . 130 ILE HA H 3.93 . 1 1264 . 130 ILE CB C 37.6 . 1 1265 . 130 ILE HB H 1.86 . 1 1266 . 130 ILE HG2 H 0.96 . 1 1267 . 130 ILE CG2 C 16.9 . 1 1268 . 130 ILE CG1 C 28.3 . 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 12.7 . 1 1273 . 131 GLY N N 113.8 . 1 1274 . 131 GLY H H 9.04 . 1 1275 . 131 GLY CA C 45.1 . 1 1276 . 131 GLY HA2 H 3.80 . 2 1277 . 131 GLY HA3 H 4.23 . 2 1278 . 132 GLN N N 117.8 . 1 1279 . 132 GLN H H 7.79 . 1 1280 . 132 GLN CA C 54.3 . 1 1281 . 132 GLN HA H 4.66 . 1 1282 . 132 GLN CB C 31.8 . 1 1283 . 132 GLN HB2 H 2.20 . 2 1284 . 132 GLN HB3 H 2.30 . 2 1285 . 132 GLN CG C 33.5 . 1 1286 . 132 GLN HG2 H 2.41 . 1 1287 . 132 GLN HG3 H 2.41 . 1 1288 . 132 GLN NE2 N 111.6 . 1 1289 . 132 GLN HE21 H 6.52 . 2 1290 . 132 GLN HE22 H 7.47 . 2 1291 . 133 ARG N N 120.6 . 1 1292 . 133 ARG H H 8.51 . 1 1293 . 133 ARG CA C 53.7 . 1 1294 . 133 ARG HA H 4.53 . 1 1295 . 133 ARG CB C 31.3 . 1 1296 . 133 ARG HB2 H 1.43 . 1 1297 . 133 ARG HB3 H 1.43 . 1 1298 . 133 ARG CG C 28.3 . 1 1299 . 133 ARG HG2 H 1.10 . 2 1300 . 133 ARG HG3 H 1.61 . 2 1301 . 133 ARG CD C 42.5 . 1 1302 . 133 ARG HD2 H 2.25 . 2 1303 . 133 ARG HD3 H 2.78 . 2 1304 . 134 PRO CD C 50.6 . 1 1305 . 134 PRO CA C 63.3 . 1 1306 . 134 PRO HA H 2.27 . 1 1307 . 134 PRO CB C 31.9 . 1 1308 . 134 PRO HB2 H 1.94 . 1 1309 . 134 PRO HB3 H 2.46 . 1 1310 . 134 PRO CG C 27.3 . 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 115.4 . 1 1316 . 135 TYR H H 6.37 . 1 1317 . 135 TYR CA C 57.1 . 1 1318 . 135 TYR HA H 4.27 . 1 1319 . 135 TYR CB C 38.7 . 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 133.8 . 3 1327 . 135 TYR CE1 C 117.4 . 3 stop_ save_